data_1yyb_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 1yyb _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 121.413 0.625 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.06 -37.53 28.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.176 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.32 -56.8 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.506 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -54.64 23.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.9 tp -58.19 -35.14 71.19 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.878 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -38.49 64.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.693 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.7 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.565 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.48 -44.33 44.56 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.57 -30.18 59.56 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.846 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 23.8 mmt180 -81.22 -31.04 34.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -65.32 -50.87 63.99 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.572 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -76.91 -33.02 57.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.137 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.733 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.42 -57.27 3.67 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -52.09 -49.24 63.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 111.632 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.7 -52.31 66.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.96 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.17 -20.05 56.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 110.925 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 121.577 0.703 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.2 -37.43 28.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.308 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.2 -56.26 21.99 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.203 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.71 -54.81 20.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.214 0.531 . . . . 0.0 109.771 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.9 tp -58.37 -34.75 71.03 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.074 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.52 65.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.735 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.86 62.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.385 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.9 -43.38 58.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.101 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.748 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.04 -29.51 49.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 19.4 mmt85 -81.54 -30.96 32.93 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.31 -50.85 62.24 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.335 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.53 -31.96 57.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.111 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.748 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.29 -57.39 3.63 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -59.96 -27.75 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.191 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.73 -52.23 66.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.737 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.87 -46.58 68.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.79 -21.95 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 121.502 0.668 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -80.96 -37.58 29.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.262 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.09 -56.47 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -50.7 -54.81 20.15 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -57.85 -35.15 70.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.954 0.883 . . . . 0.0 109.208 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.4 -38.2 65.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.872 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.12 62.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.405 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.33 -43.49 50.45 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.0 -29.34 49.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.857 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 13.2 tpt180 -81.18 -32.18 33.7 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -65.81 -50.25 65.33 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.683 -0.807 . . . . 0.0 108.862 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -76.44 -33.6 58.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.147 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.743 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.11 -57.46 3.62 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -27.65 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 111.404 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -59.66 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -79.46 -44.44 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -22.97 48.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.089 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.211 0.529 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.08 -37.58 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.352 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.38 -56.87 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.47 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -50.8 -54.9 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.569 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -57.91 -34.79 70.21 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.145 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.57 -38.26 66.45 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.639 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.88 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.566 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.46 -44.73 42.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.284 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.723 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.47 -30.25 59.86 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.932 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 17.1 mmt85 -81.25 -30.4 34.14 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -65.69 -50.68 64.01 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.202 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -34.85 58.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.288 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.723 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.64 -57.08 3.74 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.54 -28.34 65.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.707 0.289 . . . . 0.0 111.327 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.85 -51.91 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.19 -46.09 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -22.13 45.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 0.0 111.158 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.691 0.758 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.27 -37.41 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.216 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -55.23 -56.39 20.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -50.65 -54.71 20.74 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.853 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.545 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 1.1 tp -58.28 -34.79 70.91 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.083 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -54.16 -38.82 65.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.797 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.2 62.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.887 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp -77.82 -52.75 8.4 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.339 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.704 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -64.12 -32.87 74.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.163 -179.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 20.0 mmt180 -81.22 -29.61 34.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -66.08 -50.72 63.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.3 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -76.75 -34.62 58.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.037 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.37 -57.1 3.76 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -59.02 -28.0 65.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.897 0.379 . . . . 0.0 111.401 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.33 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.993 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tp -79.46 -43.12 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -57.98 -23.19 52.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.155 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.256 0.55 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.5 -39.5 31.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.004 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -56.43 16.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.685 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.86 -54.92 19.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.316 0.579 . . . . 0.0 109.958 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.3 tp -57.91 -34.86 70.28 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.654 0.74 . . . . 0.0 109.148 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.84 65.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.898 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -30.8 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.612 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.93 -44.9 53.51 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.114 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.762 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -78.02 -28.75 49.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.049 -179.671 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -81.48 -32.02 32.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -66.08 -50.48 63.96 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.265 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -76.36 -31.88 58.3 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.014 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.762 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 2.0 tp -80.3 -57.4 3.62 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.67 -28.09 66.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 111.251 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.37 -51.93 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.83 -42.92 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -58.98 -23.19 61.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.196 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 121.284 0.564 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.31 -37.68 27.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -56.22 -56.57 19.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.682 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.0 -54.64 22.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.297 0.57 . . . . 0.0 109.97 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.696 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.73 -35.61 70.93 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.119 177.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -37.43 64.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.69 -30.61 62.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 109.11 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.92 -38.74 64.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.693 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.722 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.09 -31.87 50.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 2.9 mpt_? -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -65.23 -50.94 63.9 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.125 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -76.38 -34.8 58.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.163 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.722 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.14 -57.17 3.75 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.69 -28.06 65.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.69 0.281 . . . . 0.0 111.342 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.85 -51.84 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.55 -43.13 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -57.91 -23.21 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.133 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.95 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.715 0.769 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -81.11 -37.62 28.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.241 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.0 -56.42 19.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -54.76 21.32 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.321 0.581 . . . . 0.0 109.677 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.649 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 3.4 tp -57.93 -35.05 70.55 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.327 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.08 -37.75 64.57 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.792 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.88 62.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.24 -40.75 62.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.982 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.57 -31.57 57.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.714 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 1.7 mpt_? -81.5 -31.45 32.84 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.08 -50.6 65.5 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.794 -0.763 . . . . 0.0 109.163 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -76.75 -34.34 58.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.027 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.1 -57.55 3.57 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.53 -27.96 65.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 111.4 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.87 -52.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.48 -42.4 25.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -58.22 -23.34 55.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.986 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 121.361 0.601 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.33 -37.48 28.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.173 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -56.25 -56.91 15.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.512 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.81 -54.96 19.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.578 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.7 tp -57.86 -34.89 70.23 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.118 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.26 -38.64 66.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.501 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.84 62.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.469 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.43 -44.61 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.12 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.44 -30.01 59.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.071 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 5.6 mmt-85 -81.32 -30.29 33.92 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -66.83 -50.57 62.17 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.314 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.14 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.072 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.31 -56.96 3.83 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -60.48 -27.87 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.215 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.79 -52.02 66.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.48 -42.88 58.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.774 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -58.67 -23.45 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 0 CA-C-O 121.11 0.481 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.3 -37.65 28.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -56.39 -56.64 18.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.68 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.8 -54.69 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.089 0.471 . . . . 0.0 109.836 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -58.26 -34.71 70.78 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.151 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.93 -38.8 65.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.747 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.81 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.55 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -75.14 -43.29 53.31 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.21 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.63 -29.84 51.96 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.78 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 11.3 mmt180 -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -66.62 -50.57 62.57 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.353 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -32.07 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.067 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.11 -57.3 3.69 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.06 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -60.19 -28.11 67.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.557 0.218 . . . . 0.0 111.036 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.22 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.68 64.63 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -58.46 -21.95 53.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.009 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.979 0.418 . . . . 0.0 111.284 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 121.272 0.558 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.26 -37.3 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.253 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -56.35 -56.78 16.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.44 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -50.85 -54.73 21.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.306 0.574 . . . . 0.0 109.885 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.706 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.75 -35.55 70.89 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.129 178.114 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -37.25 64.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.878 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.46 -31.01 63.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.62 0.724 . . . . 0.0 109.089 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.97 -38.33 64.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.93 -32.05 51.39 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.535 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.441 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.53 -31.17 32.88 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.426 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.29 -50.64 64.93 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.106 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -76.82 -34.22 57.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.093 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.39 3.62 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.49 -28.17 65.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.379 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.7 -51.95 67.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -57.96 -23.18 52.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.176 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.006 0.432 . . . . 0.0 111.077 -179.891 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 121.654 0.74 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.06 -37.47 28.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.218 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -55.32 -56.34 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.064 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -50.59 -54.87 19.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.03 -34.99 70.66 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.079 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.14 -38.52 65.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.747 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -31.16 62.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.51 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.83 -43.26 59.28 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.065 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.11 -29.53 49.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.75 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 19.9 mmt85 -81.45 -31.33 33.08 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.35 -50.72 64.51 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.334 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -76.74 -33.18 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.164 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.739 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.32 -57.16 3.73 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -52.29 -50.14 62.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.35 -52.04 67.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.01 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -60.16 -19.97 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.049 0.452 . . . . 0.0 111.184 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.27 -37.24 28.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.267 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.3 -56.46 19.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -50.79 -54.61 22.15 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -58.4 -34.7 71.03 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 121.723 0.773 . . . . 0.0 109.056 178.233 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -54.25 -38.97 66.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.486 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.98 62.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.704 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.57 -52.94 8.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.276 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.74 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -65.56 -31.55 72.66 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.419 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 19.4 tpp85 -81.35 -30.46 33.77 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.85 -50.45 62.49 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.258 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.78 -31.56 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.959 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.74 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.2 -57.55 3.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 0.0 111.843 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -59.84 -27.94 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.333 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.53 -51.94 67.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.019 0.437 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.56 -46.78 65.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.6 -21.79 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.117 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 121.249 0.547 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -81.26 -37.45 28.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.131 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -56.04 -57.06 13.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.536 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -50.56 -54.95 18.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 109.815 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.872 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -57.78 -35.41 70.74 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.112 178.158 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.02 -38.4 65.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.899 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -30.95 69.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.805 0.812 . . . . 0.0 109.09 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 tp -77.87 -36.61 49.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.872 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -71.85 -35.76 69.94 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.705 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.36 -30.01 33.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -65.85 -50.74 63.49 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.674 -0.81 . . . . 0.0 109.137 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -76.59 -34.63 58.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.033 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.31 -56.99 3.81 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.97 -27.9 65.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 111.182 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.13 -51.63 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.952 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.05 -46.04 17.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -22.27 45.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.06 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.188 179.811 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.723 0.773 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.93 -37.47 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.362 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.17 -56.14 23.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.282 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -50.95 -54.66 22.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 109.781 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.3 tp -58.11 -34.87 70.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 121.789 0.804 . . . . 0.0 109.189 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -38.16 65.57 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.779 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 12' ' ' GLN . . . -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.513 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.79 -47.68 24.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.29 -30.14 65.89 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.021 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.16 -29.74 34.61 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 1.8 mp0 -66.37 -51.13 60.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.364 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -32.44 57.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.155 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.736 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.33 -57.56 3.55 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -59.92 -27.82 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.72 -51.94 66.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.45 -42.88 58.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.03 -23.12 61.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.029 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -81.09 -37.5 28.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.301 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.36 -56.28 21.96 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -54.89 19.36 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.543 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 1.1 tp -57.93 -35.11 70.62 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.21 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.01 -38.85 65.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.685 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.89 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.821 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.75 -53.15 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.067 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.709 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -63.91 -32.66 74.26 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.363 -179.74 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 9.6 mmt180 -81.08 -30.05 34.81 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -50.72 63.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.082 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -34.36 57.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.245 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.709 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.4 -57.16 3.73 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.92 -27.65 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.769 0.319 . . . . 0.0 111.344 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.84 -51.78 68.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tp -79.96 -42.76 23.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -58.13 -23.3 54.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.568 0.699 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -80.95 -37.59 29.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.134 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.09 -56.16 22.94 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.342 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.98 -54.69 22.24 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.9 tp -58.15 -34.82 70.7 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 121.673 0.749 . . . . 0.0 109.243 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.11 -38.58 65.55 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.656 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.82 62.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.501 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.11 -43.26 53.85 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.755 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.62 -29.49 51.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.893 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 13.6 mmt85 -81.81 -30.5 32.19 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -50.6 60.19 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.59 -30.73 57.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.929 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.755 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.21 -57.16 3.74 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.63 -41.24 85.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.543 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.97 -41.08 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 tp -71.45 -49.65 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -18.0 62.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.934 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.124 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.164 179.904 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 121.733 0.778 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.15 -37.64 28.46 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.285 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -55.25 -56.32 21.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.974 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -54.69 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.265 0.555 . . . . 0.0 109.873 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.28 -35.01 71.16 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.978 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.22 -38.28 65.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.768 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.75 61.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.477 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.26 -43.67 50.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.263 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.771 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.07 -29.19 49.04 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 -179.729 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -81.26 -31.65 33.62 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.89 -50.45 62.4 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.171 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -31.11 58.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.819 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.771 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.1 tp -80.23 -57.67 3.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.636 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.07 -27.91 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.509 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.7 -52.1 66.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.93 -39.97 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -59.07 -24.06 62.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 179.836 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -81.25 -37.45 28.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.401 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.89 -56.34 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.195 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.71 -54.68 21.2 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.227 0.536 . . . . 0.0 109.928 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.7 OUTLIER -57.59 -35.91 71.03 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.06 177.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.23 -37.62 64.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.899 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.12 63.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.49 -41.45 63.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.727 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.62 -29.93 46.23 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.613 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 26.2 mmt180 -81.63 -31.24 32.51 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -65.14 -50.52 65.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.228 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.77 -34.85 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.4 tm? -80.08 -57.51 3.59 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -56.28 -29.95 61.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.409 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.88 -51.97 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.07 -44.17 89.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -58.69 -22.5 57.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.089 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.098 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 121.656 0.741 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -81.14 -37.71 28.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.054 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.01 -56.12 23.3 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.33 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -54.63 22.18 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 109.928 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.654 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.36 -34.89 71.17 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.156 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -54.07 -37.81 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.577 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.7 62.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -73.6 -39.61 64.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.725 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.31 -30.96 48.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.782 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 3.7 mpt_? -81.42 -31.49 33.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -65.16 -50.58 65.41 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.304 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -34.28 57.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.989 178.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.725 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.29 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -28.04 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.79 0.329 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.99 -52.1 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tp -79.72 -45.88 18.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -22.18 44.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.174 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.206 179.79 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 11.5 m . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.983 0.42 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.65 -66.01 0.45 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.413 0.625 . . . . 0.0 110.639 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.06 -37.53 28.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.176 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 20.9 tt0 -56.32 -56.8 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.506 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.4 OUTLIER -51.06 -54.64 23.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.9 tp -58.19 -35.14 71.19 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.878 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -38.49 64.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.693 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.7 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.565 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.48 -44.33 44.56 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.57 -30.18 59.56 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.846 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 23.8 mmt180 -81.22 -31.04 34.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -65.32 -50.87 63.99 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.572 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -76.91 -33.02 57.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.137 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.733 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.42 -57.27 3.67 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -52.09 -49.24 63.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 111.632 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.7 -52.31 66.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.96 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.17 -20.05 56.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.07 -31.24 39.36 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -98.69 29.13 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -89.09 -176.48 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.156 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.12 169.6 11.61 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.437 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -176.57 82.64 0.27 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 111.03 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.01 -42.17 3.37 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.512 2.141 . . . . 0.0 112.407 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.29 43.81 94.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.593 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 3.9 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.368 0.604 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.98 -59.07 2.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.49 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.2 -37.43 28.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.308 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.2 -56.26 21.99 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.203 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -50.71 -54.81 20.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.214 0.531 . . . . 0.0 109.771 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.9 tp -58.37 -34.75 71.03 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.074 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.52 65.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.735 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.86 62.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.385 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.9 -43.38 58.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.101 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.748 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.04 -29.51 49.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 19.4 mmt85 -81.54 -30.96 32.93 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.31 -50.85 62.24 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.335 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.53 -31.96 57.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.111 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.748 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.29 -57.39 3.63 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -59.96 -27.75 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.191 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.73 -52.23 66.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.737 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.87 -46.58 68.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.79 -21.95 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.6 -54.16 5.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -71.01 -37.1 72.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -99.6 93.74 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.821 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.74 -152.86 22.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.554 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -168.62 149.66 4.46 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.964 0.411 . . . . 0.0 110.734 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 -41.31 4.16 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.516 2.144 . . . . 0.0 112.428 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.72 -164.72 24.26 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.81 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 121.212 0.53 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.18 -59.04 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.428 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -80.96 -37.58 29.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.262 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.09 -56.47 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.9 tm-20 -50.7 -54.81 20.15 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -57.85 -35.15 70.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.954 0.883 . . . . 0.0 109.208 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.4 -38.2 65.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.872 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.12 62.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.405 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.33 -43.49 50.45 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.0 -29.34 49.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.857 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 13.2 tpt180 -81.18 -32.18 33.7 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -65.81 -50.25 65.33 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.683 -0.807 . . . . 0.0 108.862 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -76.44 -33.6 58.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.147 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.743 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.11 -57.46 3.62 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -27.65 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 111.404 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -59.66 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -79.46 -44.44 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -22.97 48.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.98 31.44 5.69 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.43 -31.63 8.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -60.16 99.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.56 102.92 0.16 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.344 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.39 149.95 75.01 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.785 0.326 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.16 83.83 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.07 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.73 105.45 0.75 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.479 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.755 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 9.6 m . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.05 0.452 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.71 -65.86 0.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.211 0.529 . . . . 0.0 110.78 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.08 -37.58 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.352 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.442 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 25.8 tt0 -56.38 -56.87 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.47 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 1' ' ' SER . 1.3 tm-20 -50.8 -54.9 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.569 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -57.91 -34.79 70.21 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.145 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.57 -38.26 66.45 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.639 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.88 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.566 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.46 -44.73 42.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.284 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.723 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.47 -30.25 59.86 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.932 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 17.1 mmt85 -81.25 -30.4 34.14 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -65.69 -50.68 64.01 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.202 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -34.85 58.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.288 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.723 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.64 -57.08 3.74 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.54 -28.34 65.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.707 0.289 . . . . 0.0 111.327 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.85 -51.91 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.19 -46.09 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -22.13 45.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.01 36.84 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -105.29 -74.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -107.33 -67.85 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.756 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.32 163.87 9.85 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.533 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -131.84 87.11 46.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.579 0.228 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.31 -32.95 53.48 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.431 2.087 . . . . 0.0 112.329 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.73 -57.42 2.57 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.918 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 70.4 m . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 121.233 0.539 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.29 -58.95 2.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.691 0.758 . . . . 0.0 109.277 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.27 -37.41 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.216 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -55.23 -56.39 20.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.9 tm-20 -50.65 -54.71 20.74 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.853 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.545 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 1.1 tp -58.28 -34.79 70.91 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.083 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -54.16 -38.82 65.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.797 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.2 62.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.887 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp -77.82 -52.75 8.4 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.339 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.704 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -64.12 -32.87 74.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.163 -179.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 20.0 mmt180 -81.22 -29.61 34.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -66.08 -50.72 63.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.3 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -76.75 -34.62 58.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.037 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.37 -57.1 3.76 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -59.02 -28.0 65.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.897 0.379 . . . . 0.0 111.401 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.33 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.993 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tp -79.46 -43.12 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -57.98 -23.19 52.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.27 31.25 6.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -107.01 29.11 7.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 60.28 110.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 101.67 0.28 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.378 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -156.28 141.69 12.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.578 0.228 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.59 108.21 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.435 2.09 . . . . 0.0 112.174 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.77 76.4 0.25 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.541 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.972 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.503 ' HA ' ' HB3' ' A' ' 4' ' ' GLU . 54.8 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.386 0.612 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.04 -67.26 0.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.917 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.5 -39.5 31.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.004 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.503 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -53.07 -56.43 16.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.685 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.3 OUTLIER -50.86 -54.92 19.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.316 0.579 . . . . 0.0 109.958 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.3 tp -57.91 -34.86 70.28 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.654 0.74 . . . . 0.0 109.148 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.84 65.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.898 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -30.8 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.612 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.93 -44.9 53.51 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.114 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.762 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -78.02 -28.75 49.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.049 -179.671 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -81.48 -32.02 32.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -66.08 -50.48 63.96 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.265 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -76.36 -31.88 58.3 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.014 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.762 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 2.0 tp -80.3 -57.4 3.62 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.67 -28.09 66.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 111.251 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.37 -51.93 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.83 -42.92 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -58.98 -23.19 61.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.29 -65.58 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.196 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -60.32 -31.59 70.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 60.56 157.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.36 -143.71 12.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.453 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.2 162.79 18.61 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.613 0.244 . . . . 0.0 110.82 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.98 105.49 1.53 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.392 2.061 . . . . 0.0 112.422 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.77 98.52 2.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.654 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.933 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 6.0 m . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 121.074 0.464 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.11 -66.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.284 0.564 . . . . 0.0 110.812 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.31 -37.68 27.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.434 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 27.0 tt0 -56.22 -56.57 19.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.682 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.1 OUTLIER -51.0 -54.64 22.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.297 0.57 . . . . 0.0 109.97 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.696 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.73 -35.61 70.93 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.119 177.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -37.43 64.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.69 -30.61 62.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 109.11 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.92 -38.74 64.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.693 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.722 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.09 -31.87 50.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 2.9 mpt_? -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -65.23 -50.94 63.9 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.125 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -76.38 -34.8 58.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.163 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.722 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.14 -57.17 3.75 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.69 -28.06 65.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.69 0.281 . . . . 0.0 111.342 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.85 -51.84 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.55 -43.13 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -57.91 -23.21 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.133 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.51 -39.35 16.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -106.15 29.01 7.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 60.55 110.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.28 127.25 1.06 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.44 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.1 m-20 -178.26 -61.69 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.49 0.186 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 23' ' ' ASP . 58.9 Cg_endo -71.45 124.26 10.2 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.634 2.223 . . . . 0.0 112.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.96 -79.1 0.07 OUTLIER Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.826 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 121.146 0.498 . . . . 0.0 111.389 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.97 -59.16 2.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.715 0.769 . . . . 0.0 109.41 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -81.11 -37.62 28.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.241 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.0 -56.42 19.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -50.91 -54.76 21.32 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.321 0.581 . . . . 0.0 109.677 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.649 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 3.4 tp -57.93 -35.05 70.55 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.327 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.08 -37.75 64.57 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.792 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.88 62.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.24 -40.75 62.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.982 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.57 -31.57 57.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.714 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 1.7 mpt_? -81.5 -31.45 32.84 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.08 -50.6 65.5 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.794 -0.763 . . . . 0.0 109.163 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -76.75 -34.34 58.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.027 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.1 -57.55 3.57 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.53 -27.96 65.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 111.4 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.87 -52.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.48 -42.4 25.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -58.22 -23.34 55.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.75 -31.52 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -63.39 -74.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -92.85 142.74 26.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.56 -163.01 9.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.587 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -76.71 -54.12 1.77 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 111.179 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 23' ' ' ASP . 82.6 Cg_exo -44.57 133.44 9.9 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.918 2.412 . . . . 0.0 112.378 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.53 49.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.985 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.509 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 9.2 m . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 121.157 0.503 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.54 -65.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.361 0.601 . . . . 0.0 110.909 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.33 -37.48 28.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.173 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 26.8 tt0 -56.25 -56.91 15.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.512 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.509 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -50.81 -54.96 19.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.578 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.7 tp -57.86 -34.89 70.23 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.118 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.26 -38.64 66.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.501 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.84 62.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.469 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.43 -44.61 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.12 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.44 -30.01 59.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.071 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 5.6 mmt-85 -81.32 -30.29 33.92 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -66.83 -50.57 62.17 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.314 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.14 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.072 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.31 -56.96 3.83 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -60.48 -27.87 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.215 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.79 -52.02 66.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.48 -42.88 58.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.774 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -58.67 -23.45 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.49 -30.94 57.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -69.79 -74.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -60.43 -176.59 0.05 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.28 -53.32 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -135.72 87.19 26.23 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.73 -29.49 23.91 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.672 2.248 . . . . 0.0 112.435 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.23 62.57 2.42 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.978 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.508 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 11.0 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.973 0.416 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.08 -65.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.588 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.3 -37.65 28.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.442 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 26.0 tt0 -56.39 -56.64 18.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.68 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 1' ' ' SER . 1.2 tm-20 -50.8 -54.69 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.089 0.471 . . . . 0.0 109.836 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -58.26 -34.71 70.78 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.151 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.93 -38.8 65.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.747 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.81 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.55 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -75.14 -43.29 53.31 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.21 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.63 -29.84 51.96 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.78 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 11.3 mmt180 -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -66.62 -50.57 62.57 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.353 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -32.07 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.067 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.11 -57.3 3.69 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.06 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -60.19 -28.11 67.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.557 0.218 . . . . 0.0 111.036 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.22 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.68 64.63 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -58.46 -21.95 53.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.009 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 31.28 5.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.979 0.418 . . . . 0.0 111.284 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -82.83 -66.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -76.01 158.59 31.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.03 125.48 0.91 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -159.25 84.48 2.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 -33.78 14.47 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.593 2.195 . . . . 0.0 112.412 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.54 90.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.504 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.961 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.506 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 5.3 m . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 121.029 0.442 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.5 -66.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.272 0.558 . . . . 0.0 110.701 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.26 -37.3 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.253 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 25.1 tt0 -56.35 -56.78 16.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.44 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 1' ' ' SER . 2.6 tm-20 -50.85 -54.73 21.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.306 0.574 . . . . 0.0 109.885 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.706 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.75 -35.55 70.89 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.129 178.114 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -37.25 64.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.878 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.46 -31.01 63.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.62 0.724 . . . . 0.0 109.089 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.97 -38.33 64.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.93 -32.05 51.39 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.535 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.441 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.53 -31.17 32.88 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.426 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.29 -50.64 64.93 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.106 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -76.82 -34.22 57.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.093 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.39 3.62 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.49 -28.17 65.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.379 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.7 -51.95 67.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -57.96 -23.18 52.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.176 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.96 36.74 1.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.006 0.432 . . . . 0.0 111.077 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.08 -66.21 0.92 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -105.28 -178.09 3.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.97 45.39 0.05 OUTLIER Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.339 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -149.67 162.11 29.44 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.651 0.263 . . . . 0.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.2 91.71 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.723 2.282 . . . . 0.0 112.222 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.41 -44.24 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.611 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.959 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 5.6 m . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 121.431 0.634 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.01 -59.17 2.31 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.306 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.06 -37.47 28.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.218 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -55.32 -56.34 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.064 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.0 tm-20 -50.59 -54.87 19.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.03 -34.99 70.66 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.079 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.14 -38.52 65.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.747 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -31.16 62.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.51 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.83 -43.26 59.28 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.065 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.11 -29.53 49.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.75 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 19.9 mmt85 -81.45 -31.33 33.08 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.35 -50.72 64.51 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.334 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -76.74 -33.18 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.164 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.739 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.32 -57.16 3.73 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -52.29 -50.14 62.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.35 -52.04 67.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.01 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -60.16 -19.97 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.17 -45.17 16.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.049 0.452 . . . . 0.0 111.184 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -60.85 -36.31 78.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -106.0 148.61 27.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.43 150.26 20.67 Favored Glycine 0 N--CA 1.455 -0.074 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.37 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.35 149.04 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.802 0.334 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.67 -29.1 40.12 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.761 2.307 . . . . 0.0 112.201 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.12 30.0 6.9 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.332 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.147 -0.93 . . . . 0.0 111.025 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 51.6 m . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.309 0.576 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.44 -58.76 2.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.36 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.27 -37.24 28.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.267 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.3 -56.46 19.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.2 tm-20 -50.79 -54.61 22.15 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -58.4 -34.7 71.03 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 121.723 0.773 . . . . 0.0 109.056 178.233 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -54.25 -38.97 66.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.486 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.98 62.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.704 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.57 -52.94 8.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.276 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.74 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -65.56 -31.55 72.66 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.419 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 19.4 tpp85 -81.35 -30.46 33.77 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.85 -50.45 62.49 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.258 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.78 -31.56 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.959 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.74 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.2 -57.55 3.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 0.0 111.843 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -59.84 -27.94 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.333 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.53 -51.94 67.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.019 0.437 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.56 -46.78 65.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.6 -21.79 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.87 36.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -98.74 -31.82 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.033 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -91.52 -31.38 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.77 162.39 16.03 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.1 m-20 -60.26 -60.67 9.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 23' ' ' ASP . 58.9 Cg_endo -72.36 115.72 4.44 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.333 2.022 . . . . 0.0 112.173 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.94 34.54 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.389 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.85 179.88 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.505 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 6.3 m . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 121.318 0.58 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.66 -66.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.588 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -81.26 -37.45 28.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.131 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 22.1 tt0 -56.04 -57.06 13.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.536 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' ' 1' ' ' SER . 6.6 tm-20 -50.56 -54.95 18.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 109.815 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.872 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -57.78 -35.41 70.74 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.112 178.158 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.02 -38.4 65.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.899 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -30.95 69.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.805 0.812 . . . . 0.0 109.09 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 tp -77.87 -36.61 49.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.872 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -71.85 -35.76 69.94 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.705 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.36 -30.01 33.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -65.85 -50.74 63.49 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.674 -0.81 . . . . 0.0 109.137 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -76.59 -34.63 58.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.033 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.31 -56.99 3.81 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.97 -27.9 65.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 111.182 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.13 -51.63 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.952 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.05 -46.04 17.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -22.27 45.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.06 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.45 31.31 5.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.188 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -65.98 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -132.83 31.42 3.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.648 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.76 -95.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.431 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -114.29 87.11 12.96 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.723 0.297 . . . . 0.0 111.04 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 -27.88 31.77 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.417 2.078 . . . . 0.0 112.513 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.84 58.73 4.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.711 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.912 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 121.335 0.588 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.3 -59.27 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.164 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.93 -37.47 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.362 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.17 -56.14 23.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.282 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 1' ' ' SER . 4.8 tm-20 -50.95 -54.66 22.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 109.781 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.3 tp -58.11 -34.87 70.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 121.789 0.804 . . . . 0.0 109.189 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -38.16 65.57 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.779 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 12' ' ' GLN . . . -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.513 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.79 -47.68 24.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.29 -30.14 65.89 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.021 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.16 -29.74 34.61 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 1.8 mp0 -66.37 -51.13 60.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.364 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -32.44 57.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.155 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.736 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.33 -57.56 3.55 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -59.92 -27.82 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.72 -51.94 66.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.45 -42.88 58.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.03 -23.12 61.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.3 34.82 3.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -130.04 29.27 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -105.9 142.25 35.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.11 -57.39 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.409 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -133.76 87.33 36.25 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.623 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -52.44 -38.46 74.2 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.571 2.181 . . . . 0.0 112.129 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.03 48.9 2.46 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.615 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.852 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 13.7 m . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 121.392 0.615 . . . . 0.0 111.418 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.15 -59.01 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.288 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -81.09 -37.5 28.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.301 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.36 -56.28 21.96 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -50.65 -54.89 19.36 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.699 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.543 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 1.1 tp -57.93 -35.11 70.62 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.21 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.01 -38.85 65.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.685 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.89 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.821 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.75 -53.15 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.067 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.709 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -63.91 -32.66 74.26 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.363 -179.74 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 9.6 mmt180 -81.08 -30.05 34.81 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -50.72 63.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.082 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -34.36 57.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.245 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.709 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.4 -57.16 3.73 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.92 -27.65 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.769 0.319 . . . . 0.0 111.344 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.84 -51.78 68.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tp -79.96 -42.76 23.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -58.13 -23.3 54.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.49 -40.31 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -106.01 29.26 6.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.041 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.06 -34.79 78.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.83 -47.64 0.45 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.52 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.31 167.44 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 -166.36 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.462 2.108 . . . . 0.0 112.11 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.18 -48.25 5.46 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.539 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.744 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 67.5 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.207 0.527 . . . . 0.0 111.373 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.89 -59.32 2.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.206 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -80.95 -37.59 29.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.134 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.09 -56.16 22.94 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.342 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.9 OUTLIER -50.98 -54.69 22.24 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.76 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.9 tp -58.15 -34.82 70.7 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 121.673 0.749 . . . . 0.0 109.243 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.11 -38.58 65.55 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.656 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.82 62.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.501 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.11 -43.26 53.85 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.755 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.62 -29.49 51.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.893 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 13.6 mmt85 -81.81 -30.5 32.19 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -50.6 60.19 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.59 -30.73 57.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.929 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.755 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.21 -57.16 3.74 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.63 -41.24 85.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.543 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.97 -41.08 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 tp -71.45 -49.65 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -18.0 62.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.934 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.89 32.6 6.06 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.164 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -105.77 -39.71 5.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.942 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.34 80.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.04 -145.28 4.41 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.394 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.64 150.45 70.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 -44.41 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.684 2.256 . . . . 0.0 112.229 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.79 49.6 1.01 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.524 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.921 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 20.0 m . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 121.376 0.608 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.02 -58.87 2.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.329 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.15 -37.64 28.46 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.285 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -55.25 -56.32 21.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.974 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.3 OUTLIER -50.68 -54.69 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.265 0.555 . . . . 0.0 109.873 179.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.28 -35.01 71.16 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.978 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.22 -38.28 65.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.768 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.75 61.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.477 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.26 -43.67 50.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.263 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.771 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.07 -29.19 49.04 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 -179.729 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -81.26 -31.65 33.62 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.89 -50.45 62.4 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.171 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -31.11 58.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.819 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.771 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.1 tp -80.23 -57.67 3.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.636 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.07 -27.91 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.509 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.7 -52.1 66.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.93 -39.97 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -59.07 -24.06 62.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.71 32.99 3.37 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -106.52 -74.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.168 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -100.11 35.4 2.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.735 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.56 173.29 22.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.418 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.71 80.01 0.27 Allowed Pre-proline 0 C--O 1.233 0.202 0 CA-C-O 120.784 0.325 . . . . 0.0 110.753 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.05 -56.73 2.65 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.51 2.14 . . . . 0.0 112.307 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.94 123.99 2.71 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.813 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 3.9 m . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 121.334 0.588 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.11 -59.06 2.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.202 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -81.25 -37.45 28.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.401 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.89 -56.34 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.195 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.7 tm-20 -50.71 -54.68 21.2 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.227 0.536 . . . . 0.0 109.928 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.7 OUTLIER -57.59 -35.91 71.03 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.06 177.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.23 -37.62 64.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.899 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.12 63.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.49 -41.45 63.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.727 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.62 -29.93 46.23 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.613 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 26.2 mmt180 -81.63 -31.24 32.51 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -65.14 -50.52 65.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.228 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.77 -34.85 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.4 tm? -80.08 -57.51 3.59 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -56.28 -29.95 61.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.409 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.88 -51.97 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.07 -44.17 89.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -58.69 -22.5 57.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.089 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.39 37.21 2.26 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -60.85 -55.96 26.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.75 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 60.57 110.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.31 -166.97 10.81 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.477 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -135.4 87.21 27.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.87 0.367 . . . . 0.0 111.028 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.33 90.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.666 2.244 . . . . 0.0 112.242 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.41 44.79 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.15 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.442 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.03 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.392 0.615 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.11 -58.91 2.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.532 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -81.14 -37.71 28.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.054 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.01 -56.12 23.3 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.33 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.2 OUTLIER -50.84 -54.63 22.18 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 109.928 179.591 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.654 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.36 -34.89 71.17 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.156 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -54.07 -37.81 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.577 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.7 62.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -73.6 -39.61 64.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.725 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.31 -30.96 48.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.782 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 3.7 mpt_? -81.42 -31.49 33.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -65.16 -50.58 65.41 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.304 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -34.28 57.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.989 178.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.725 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.29 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -28.04 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.79 0.329 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.99 -52.1 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tp -79.72 -45.88 18.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -22.18 44.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.174 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.59 -31.18 11.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.206 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -82.09 -65.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -131.85 128.39 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.43 -78.73 0.39 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.667 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 60.68 83.38 0.21 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.831 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.27 -45.72 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.58 45.5 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.451 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.839 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 121.413 0.625 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.06 -37.53 28.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.176 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.32 -56.8 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.506 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -54.64 23.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.642 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.9 tp -58.19 -35.14 71.19 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.878 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -38.49 64.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.693 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.7 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.565 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.48 -44.33 44.56 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.57 -30.18 59.56 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.846 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.564 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.8 mmt180 -81.22 -31.04 34.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -65.32 -50.87 63.99 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.572 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' HD23 ' A' ' 17' ' ' LEU . 8.7 mmt180 -76.91 -33.02 57.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.137 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.733 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.42 -57.27 3.67 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -52.09 -49.24 63.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 111.632 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.7 -52.31 66.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 13' ' ' ARG . 4.0 mm? -60.96 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.17 -20.05 56.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 110.925 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 121.577 0.703 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.2 -37.43 28.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.308 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.2 -56.26 21.99 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.203 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.71 -54.81 20.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.214 0.531 . . . . 0.0 109.771 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.9 tp -58.37 -34.75 71.03 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.074 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.52 65.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.735 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.86 62.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.385 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.9 -43.38 58.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.101 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.748 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.04 -29.51 49.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.4 mmt85 -81.54 -30.96 32.93 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.31 -50.85 62.24 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.335 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.53 -31.96 57.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.111 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.748 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.29 -57.39 3.63 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.96 -27.75 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.191 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.73 -52.23 66.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.737 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.87 -46.58 68.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.79 -21.95 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 121.502 0.668 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -80.96 -37.58 29.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.262 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.09 -56.47 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -50.7 -54.81 20.15 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.642 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.8 tp -57.85 -35.15 70.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.954 0.883 . . . . 0.0 109.208 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.4 -38.2 65.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.872 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.12 62.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.405 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.33 -43.49 50.45 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.0 -29.34 49.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.857 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.591 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.2 tpt180 -81.18 -32.18 33.7 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -65.81 -50.25 65.33 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.683 -0.807 . . . . 0.0 108.862 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -76.44 -33.6 58.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.147 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.743 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.11 -57.46 3.62 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -27.65 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 111.404 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -59.66 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -79.46 -44.44 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' OE1' HD11 ' A' ' 14' ' ' LEU . 4.3 mt-30 -57.63 -22.97 48.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.089 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.211 0.529 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.08 -37.58 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.352 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.38 -56.87 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.47 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -50.8 -54.9 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.614 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -57.91 -34.79 70.21 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.145 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.57 -38.26 66.45 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.639 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.88 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.566 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.46 -44.73 42.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.284 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.723 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.47 -30.25 59.86 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.932 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.64 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 17.1 mmt85 -81.25 -30.4 34.14 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -65.69 -50.68 64.01 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.202 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -34.85 58.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.288 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.723 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.64 -57.08 3.74 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.54 -28.34 65.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.707 0.289 . . . . 0.0 111.327 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.85 -51.91 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.19 -46.09 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -57.82 -22.13 45.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.691 0.758 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.27 -37.41 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.216 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -55.23 -56.39 20.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -50.65 -54.71 20.74 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.853 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.886 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.1 tp -58.28 -34.79 70.91 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.083 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -54.16 -38.82 65.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.797 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.2 62.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.887 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp -77.82 -52.75 8.4 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.339 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.886 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -64.12 -32.87 74.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.163 -179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.643 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 20.0 mmt180 -81.22 -29.61 34.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -66.08 -50.72 63.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.3 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -76.75 -34.62 58.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.037 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.37 -57.1 3.76 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.02 -28.0 65.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.897 0.379 . . . . 0.0 111.401 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.33 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.993 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tp -79.46 -43.12 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.554 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.9 mt-30 -57.98 -23.19 52.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.155 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.256 0.55 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.5 -39.5 31.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.004 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -56.43 16.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.685 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.86 -54.92 19.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.316 0.579 . . . . 0.0 109.958 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.3 tp -57.91 -34.86 70.28 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.654 0.74 . . . . 0.0 109.148 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.84 65.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.898 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -30.8 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.612 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.93 -44.9 53.51 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.114 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.762 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -78.02 -28.75 49.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.049 -179.671 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.5 tpp180 -81.48 -32.02 32.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -66.08 -50.48 63.96 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.265 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -76.36 -31.88 58.3 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.014 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.762 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 2.0 tp -80.3 -57.4 3.62 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.67 -28.09 66.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 111.251 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.37 -51.93 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.83 -42.92 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -58.98 -23.19 61.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.196 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 121.284 0.564 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.31 -37.68 27.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -56.22 -56.57 19.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.682 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.0 -54.64 22.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.297 0.57 . . . . 0.0 109.97 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.769 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.73 -35.61 70.93 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.119 177.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -37.43 64.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.69 -30.61 62.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 109.11 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.3 tp -73.92 -38.74 64.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.693 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.769 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -78.09 -31.87 50.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.645 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.9 mpt_? -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -65.23 -50.94 63.9 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.125 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -76.38 -34.8 58.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.163 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.722 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.14 -57.17 3.75 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.69 -28.06 65.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.69 0.281 . . . . 0.0 111.342 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.85 -51.84 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.55 -43.13 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.551 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.2 mt-30 -57.91 -23.21 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.95 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.715 0.769 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -81.11 -37.62 28.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.241 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.0 -56.42 19.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -54.76 21.32 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.321 0.581 . . . . 0.0 109.677 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.696 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 3.4 tp -57.93 -35.05 70.55 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.327 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.08 -37.75 64.57 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.792 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.88 62.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 9' ' ' LEU . 4.2 tp -74.24 -40.75 62.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.982 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.57 -31.57 57.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.714 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.637 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.7 mpt_? -81.5 -31.45 32.84 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.08 -50.6 65.5 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.794 -0.763 . . . . 0.0 109.163 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -76.75 -34.34 58.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.027 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.1 -57.55 3.57 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.53 -27.96 65.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 111.4 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.87 -52.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.48 -42.4 25.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.555 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.6 mt-30 -58.22 -23.34 55.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.986 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 121.361 0.601 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.33 -37.48 28.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.173 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -56.25 -56.91 15.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.512 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.81 -54.96 19.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.7 tp -57.86 -34.89 70.23 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.118 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.26 -38.64 66.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.501 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.84 62.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.469 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.43 -44.61 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.12 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.44 -30.01 59.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.071 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.584 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 5.6 mmt-85 -81.32 -30.29 33.92 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -66.83 -50.57 62.17 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.314 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.14 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.072 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.31 -56.96 3.83 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.48 -27.87 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.215 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.79 -52.02 66.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.48 -42.88 58.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.774 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -58.67 -23.45 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 0 CA-C-O 121.11 0.481 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.3 -37.65 28.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -56.39 -56.64 18.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.68 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.8 -54.69 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.089 0.471 . . . . 0.0 109.836 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -58.26 -34.71 70.78 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.151 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.93 -38.8 65.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.747 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.81 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.55 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -75.14 -43.29 53.31 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.21 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.63 -29.84 51.96 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.78 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 11.3 mmt180 -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -66.62 -50.57 62.57 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.353 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -32.07 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.067 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.11 -57.3 3.69 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.06 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.19 -28.11 67.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.557 0.218 . . . . 0.0 111.036 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.22 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.68 64.63 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -58.46 -21.95 53.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.009 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.979 0.418 . . . . 0.0 111.284 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 121.272 0.558 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.26 -37.3 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.253 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -56.35 -56.78 16.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.44 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -50.85 -54.73 21.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.306 0.574 . . . . 0.0 109.885 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.767 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.75 -35.55 70.89 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.129 178.114 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -37.25 64.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.878 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.46 -31.01 63.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.62 0.724 . . . . 0.0 109.089 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.639 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.4 tp -73.97 -38.33 64.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.767 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -77.93 -32.05 51.39 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.535 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.53 -31.17 32.88 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.426 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.29 -50.64 64.93 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.106 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -76.82 -34.22 57.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.093 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.39 3.62 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.49 -28.17 65.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.379 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.7 -51.95 67.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' CD ' HD11 ' A' ' 14' ' ' LEU . 8.5 mt-30 -57.96 -23.18 52.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.176 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.006 0.432 . . . . 0.0 111.077 -179.891 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 121.654 0.74 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.06 -37.47 28.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.218 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -55.32 -56.34 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.064 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -50.59 -54.87 19.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.03 -34.99 70.66 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.079 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.14 -38.52 65.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.747 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -31.16 62.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.51 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.83 -43.26 59.28 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.065 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.11 -29.53 49.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.75 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.9 mmt85 -81.45 -31.33 33.08 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.35 -50.72 64.51 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.334 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.568 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mmt85 -76.74 -33.18 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.164 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.739 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.32 -57.16 3.73 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -52.29 -50.14 62.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.35 -52.04 67.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 13' ' ' ARG . 4.0 mm? -61.01 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.667 ' OE1' HD11 ' A' ' 14' ' ' LEU . 14.6 mt-30 -60.16 -19.97 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.905 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.049 0.452 . . . . 0.0 111.184 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.27 -37.24 28.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.267 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.3 -56.46 19.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -50.79 -54.61 22.15 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.885 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -58.4 -34.7 71.03 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 121.723 0.773 . . . . 0.0 109.056 178.233 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -54.25 -38.97 66.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.486 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.98 62.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.704 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.57 -52.94 8.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.276 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.885 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -65.56 -31.55 72.66 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.419 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.4 tpp85 -81.35 -30.46 33.77 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.85 -50.45 62.49 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.258 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.78 -31.56 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.959 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.74 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.2 -57.55 3.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 0.0 111.843 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.84 -27.94 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.333 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.53 -51.94 67.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.019 0.437 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.56 -46.78 65.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -58.6 -21.79 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.117 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 121.249 0.547 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -81.26 -37.45 28.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.131 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -56.04 -57.06 13.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.536 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -50.56 -54.95 18.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 109.815 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.903 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -57.78 -35.41 70.74 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.112 178.158 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.02 -38.4 65.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.899 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -30.95 69.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.805 0.812 . . . . 0.0 109.09 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.651 ' HB3' HD23 ' A' ' 6' ' ' LEU . 5.6 tp -77.87 -36.61 49.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.747 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.903 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -71.85 -35.76 69.94 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.705 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.64 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.36 -30.01 33.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -65.85 -50.74 63.49 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.674 -0.81 . . . . 0.0 109.137 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -76.59 -34.63 58.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.033 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.31 -56.99 3.81 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.97 -27.9 65.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 111.182 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.13 -51.63 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.952 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.05 -46.04 17.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' OE1' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.73 -22.27 45.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.06 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.188 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.723 0.773 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.93 -37.47 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.362 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.17 -56.14 23.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.282 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -50.95 -54.66 22.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 109.781 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.695 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.3 tp -58.11 -34.87 70.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 121.789 0.804 . . . . 0.0 109.189 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -38.16 65.57 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.779 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 12' ' ' GLN . . . -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.513 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.79 -47.68 24.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.29 -30.14 65.89 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.021 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.16 -29.74 34.61 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 1.8 mp0 -66.37 -51.13 60.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.364 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -32.44 57.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.155 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.736 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.33 -57.56 3.55 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.92 -27.82 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.72 -51.94 66.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.45 -42.88 58.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.03 -23.12 61.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.029 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -81.09 -37.5 28.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.301 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.36 -56.28 21.96 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -54.89 19.36 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.888 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.1 tp -57.93 -35.11 70.62 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.21 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.01 -38.85 65.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.685 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.89 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.821 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.75 -53.15 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.067 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.888 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -63.91 -32.66 74.26 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.363 -179.74 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.646 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.6 mmt180 -81.08 -30.05 34.81 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -50.72 63.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.082 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -34.36 57.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.245 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.709 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.4 -57.16 3.73 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.92 -27.65 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.769 0.319 . . . . 0.0 111.344 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.84 -51.78 68.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tp -79.96 -42.76 23.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.569 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.5 mt-30 -58.13 -23.3 54.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.568 0.699 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -80.95 -37.59 29.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.134 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.09 -56.16 22.94 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.342 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.98 -54.69 22.24 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.641 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.9 tp -58.15 -34.82 70.7 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 121.673 0.749 . . . . 0.0 109.243 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.11 -38.58 65.55 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.656 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.82 62.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.501 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.11 -43.26 53.85 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.755 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.62 -29.49 51.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.893 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.6 mmt85 -81.81 -30.5 32.19 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -50.6 60.19 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.59 -30.73 57.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.929 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.755 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.21 -57.16 3.74 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.63 -41.24 85.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.543 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.97 -41.08 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 17' ' ' LEU . 10.0 tp -71.45 -49.65 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -18.0 62.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.934 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.124 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.164 179.904 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 121.733 0.778 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.15 -37.64 28.46 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.285 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -55.25 -56.32 21.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.974 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -54.69 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.265 0.555 . . . . 0.0 109.873 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.636 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.8 tp -58.28 -35.01 71.16 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.978 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.22 -38.28 65.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.768 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.75 61.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.477 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.26 -43.67 50.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.263 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.771 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.07 -29.19 49.04 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 -179.729 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 11.6 tpt180 -81.26 -31.65 33.62 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.89 -50.45 62.4 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.171 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -31.11 58.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.819 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.771 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.1 tp -80.23 -57.67 3.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.636 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.07 -27.91 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.509 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.7 -52.1 66.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.93 -39.97 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -59.07 -24.06 62.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 179.836 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -81.25 -37.45 28.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.401 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.89 -56.34 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.195 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.71 -54.68 21.2 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.227 0.536 . . . . 0.0 109.928 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.747 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.7 OUTLIER -57.59 -35.91 71.03 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.06 177.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.23 -37.62 64.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.899 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.12 63.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.555 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.7 tp -73.49 -41.45 63.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.747 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -78.62 -29.93 46.23 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.613 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.632 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 26.2 mmt180 -81.63 -31.24 32.51 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -65.14 -50.52 65.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.228 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.779 ' O ' HD13 ' A' ' 17' ' ' LEU . 66.9 mtp180 -76.77 -34.85 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.187 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.4 tm? -80.08 -57.51 3.59 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -56.28 -29.95 61.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.409 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.88 -51.97 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.779 HD13 ' O ' ' A' ' 13' ' ' ARG . 8.4 mp -65.07 -44.17 89.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.525 ' OE1' HD11 ' A' ' 14' ' ' LEU . 14.8 mt-30 -58.69 -22.5 57.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.089 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.098 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 121.656 0.741 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -81.14 -37.71 28.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.054 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.01 -56.12 23.3 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.33 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -54.63 22.18 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 109.928 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.697 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.36 -34.89 71.17 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.156 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -54.07 -37.81 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.577 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.7 62.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 9' ' ' LEU . 4.2 tp -73.6 -39.61 64.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.725 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.31 -30.96 48.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.782 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.632 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.7 mpt_? -81.42 -31.49 33.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -65.16 -50.58 65.41 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.304 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -34.28 57.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.989 178.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.725 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.29 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -28.04 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.79 0.329 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.99 -52.1 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tp -79.72 -45.88 18.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.69 -22.18 44.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.206 179.79 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 11.5 m . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.983 0.42 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.65 -66.01 0.45 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.413 0.625 . . . . 0.0 110.639 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.06 -37.53 28.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.176 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.477 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 20.9 tt0 -56.32 -56.8 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.506 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.4 OUTLIER -51.06 -54.64 23.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.642 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.9 tp -58.19 -35.14 71.19 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.878 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -38.49 64.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.693 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.7 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.565 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.48 -44.33 44.56 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.57 -30.18 59.56 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.846 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.564 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.8 mmt180 -81.22 -31.04 34.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -65.32 -50.87 63.99 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.572 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' HD23 ' A' ' 17' ' ' LEU . 8.7 mmt180 -76.91 -33.02 57.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.137 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.733 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.42 -57.27 3.67 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -52.09 -49.24 63.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 111.632 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.7 -52.31 66.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 13' ' ' ARG . 4.0 mm? -60.96 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.17 -20.05 56.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.07 -31.24 39.36 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -98.69 29.13 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -176.48 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.156 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.12 169.6 11.61 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.437 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -176.57 82.64 0.27 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 111.03 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.01 -42.17 3.37 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.512 2.141 . . . . 0.0 112.407 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.29 43.81 94.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.593 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 3.9 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.368 0.604 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.98 -59.07 2.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.49 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.2 -37.43 28.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.308 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.2 -56.26 21.99 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.203 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -50.71 -54.81 20.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.214 0.531 . . . . 0.0 109.771 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.9 tp -58.37 -34.75 71.03 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.074 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.52 65.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.735 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.86 62.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.385 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.9 -43.38 58.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.101 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.748 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.04 -29.51 49.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.4 mmt85 -81.54 -30.96 32.93 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.31 -50.85 62.24 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.335 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.53 -31.96 57.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.111 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.748 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.29 -57.39 3.63 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.96 -27.75 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.191 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.73 -52.23 66.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.737 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD12 ' CE ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -68.87 -46.58 68.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.79 -21.95 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.6 -54.16 5.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.685 ' CE ' HD12 ' A' ' 17' ' ' LEU . 10.5 pttm -71.01 -37.1 72.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -99.6 93.74 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.821 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.74 -152.86 22.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.554 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -168.62 149.66 4.46 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.964 0.411 . . . . 0.0 110.734 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 -41.31 4.16 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.516 2.144 . . . . 0.0 112.428 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.72 -164.72 24.26 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.81 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 121.212 0.53 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.18 -59.04 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.428 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -80.96 -37.58 29.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.262 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.09 -56.47 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.9 tm-20 -50.7 -54.81 20.15 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.642 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.8 tp -57.85 -35.15 70.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.954 0.883 . . . . 0.0 109.208 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.4 -38.2 65.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.872 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.12 62.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.405 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.33 -43.49 50.45 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.0 -29.34 49.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.857 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.591 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.2 tpt180 -81.18 -32.18 33.7 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -65.81 -50.25 65.33 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.683 -0.807 . . . . 0.0 108.862 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -76.44 -33.6 58.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.147 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.743 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.11 -57.46 3.62 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -27.65 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 111.404 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -59.66 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -79.46 -44.44 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' OE1' HD11 ' A' ' 14' ' ' LEU . 4.3 mt-30 -57.63 -22.97 48.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.98 31.44 5.69 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.43 -31.63 8.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -60.16 99.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.56 102.92 0.16 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.344 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.39 149.95 75.01 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.785 0.326 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.16 83.83 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.07 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.73 105.45 0.75 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.479 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.755 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 9.6 m . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.05 0.452 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.71 -65.86 0.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.211 0.529 . . . . 0.0 110.78 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.08 -37.58 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.352 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 25.8 tt0 -56.38 -56.87 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.47 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 1' ' ' SER . 1.3 tm-20 -50.8 -54.9 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.614 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -57.91 -34.79 70.21 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.145 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.57 -38.26 66.45 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.639 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.88 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.566 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.46 -44.73 42.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.284 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.723 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.47 -30.25 59.86 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.932 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.64 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 17.1 mmt85 -81.25 -30.4 34.14 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -65.69 -50.68 64.01 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.202 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -34.85 58.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.288 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.723 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.64 -57.08 3.74 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.54 -28.34 65.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.707 0.289 . . . . 0.0 111.327 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.85 -51.91 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' HD2' ' A' ' 20' ' ' LYS . 8.9 tp -80.19 -46.09 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -57.82 -22.13 45.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -105.01 36.84 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HD2' HD12 ' A' ' 17' ' ' LEU . 32.4 mttt -105.29 -74.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -107.33 -67.85 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.756 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.32 163.87 9.85 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.533 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -131.84 87.11 46.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.579 0.228 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.31 -32.95 53.48 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.431 2.087 . . . . 0.0 112.329 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.73 -57.42 2.57 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.918 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 70.4 m . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 121.233 0.539 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.29 -58.95 2.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.691 0.758 . . . . 0.0 109.277 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.27 -37.41 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.216 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -55.23 -56.39 20.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.9 tm-20 -50.65 -54.71 20.74 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.853 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.886 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.1 tp -58.28 -34.79 70.91 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.083 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -54.16 -38.82 65.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.797 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.2 62.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.887 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp -77.82 -52.75 8.4 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.339 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.886 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -64.12 -32.87 74.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.163 -179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.643 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 20.0 mmt180 -81.22 -29.61 34.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -66.08 -50.72 63.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.3 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -76.75 -34.62 58.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.037 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.37 -57.1 3.76 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.02 -28.0 65.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.897 0.379 . . . . 0.0 111.401 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.33 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.993 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tp -79.46 -43.12 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.554 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.9 mt-30 -57.98 -23.19 52.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.27 31.25 6.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -107.01 29.11 7.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 60.28 110.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 101.67 0.28 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.378 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -156.28 141.69 12.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.578 0.228 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.59 108.21 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.435 2.09 . . . . 0.0 112.174 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.77 76.4 0.25 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.541 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.972 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.532 ' HA ' ' HB3' ' A' ' 4' ' ' GLU . 54.8 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.386 0.612 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.04 -67.26 0.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.917 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.5 -39.5 31.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.004 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -53.07 -56.43 16.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.685 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.3 OUTLIER -50.86 -54.92 19.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.316 0.579 . . . . 0.0 109.958 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.3 tp -57.91 -34.86 70.28 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.654 0.74 . . . . 0.0 109.148 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.84 65.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.898 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -30.8 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.612 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.93 -44.9 53.51 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.114 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.762 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -78.02 -28.75 49.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.049 -179.671 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.5 tpp180 -81.48 -32.02 32.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -66.08 -50.48 63.96 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.265 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -76.36 -31.88 58.3 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.014 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.762 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 2.0 tp -80.3 -57.4 3.62 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.67 -28.09 66.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 111.251 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.37 -51.93 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.83 -42.92 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -58.98 -23.19 61.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.29 -65.58 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.196 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -60.32 -31.59 70.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 60.56 157.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.36 -143.71 12.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.453 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.2 162.79 18.61 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.613 0.244 . . . . 0.0 110.82 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.98 105.49 1.53 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.392 2.061 . . . . 0.0 112.422 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.77 98.52 2.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.654 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.933 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 6.0 m . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 121.074 0.464 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.11 -66.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.284 0.564 . . . . 0.0 110.812 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.31 -37.68 27.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.464 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 27.0 tt0 -56.22 -56.57 19.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.682 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.1 OUTLIER -51.0 -54.64 22.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.297 0.57 . . . . 0.0 109.97 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.769 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.73 -35.61 70.93 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.119 177.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -37.43 64.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.69 -30.61 62.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 109.11 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.3 tp -73.92 -38.74 64.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.693 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.769 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -78.09 -31.87 50.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.645 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.9 mpt_? -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -65.23 -50.94 63.9 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.125 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -76.38 -34.8 58.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.163 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.722 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.14 -57.17 3.75 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.69 -28.06 65.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.69 0.281 . . . . 0.0 111.342 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.85 -51.84 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.55 -43.13 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.551 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.2 mt-30 -57.91 -23.21 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.51 -39.35 16.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -106.15 29.01 7.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 60.55 110.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.28 127.25 1.06 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.44 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.1 m-20 -178.26 -61.69 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.49 0.186 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 23' ' ' ASP . 58.9 Cg_endo -71.45 124.26 10.2 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.634 2.223 . . . . 0.0 112.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.96 -79.1 0.07 OUTLIER Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.826 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 121.146 0.498 . . . . 0.0 111.389 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.97 -59.16 2.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.715 0.769 . . . . 0.0 109.41 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -81.11 -37.62 28.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.241 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.0 -56.42 19.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -50.91 -54.76 21.32 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.321 0.581 . . . . 0.0 109.677 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.696 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 3.4 tp -57.93 -35.05 70.55 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.327 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.08 -37.75 64.57 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.792 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.88 62.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 9' ' ' LEU . 4.2 tp -74.24 -40.75 62.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.982 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.57 -31.57 57.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.714 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.637 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.7 mpt_? -81.5 -31.45 32.84 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.08 -50.6 65.5 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.794 -0.763 . . . . 0.0 109.163 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -76.75 -34.34 58.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.027 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.1 -57.55 3.57 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.53 -27.96 65.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 111.4 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.87 -52.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.48 -42.4 25.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.555 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.6 mt-30 -58.22 -23.34 55.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.75 -31.52 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -63.39 -74.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -92.85 142.74 26.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.56 -163.01 9.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.587 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -76.71 -54.12 1.77 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 111.179 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 23' ' ' ASP . 82.6 Cg_exo -44.57 133.44 9.9 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.918 2.412 . . . . 0.0 112.378 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.53 49.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.985 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 9.2 m . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 121.157 0.503 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.54 -65.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.361 0.601 . . . . 0.0 110.909 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.33 -37.48 28.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.173 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 26.8 tt0 -56.25 -56.91 15.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.512 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.526 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -50.81 -54.96 19.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.7 tp -57.86 -34.89 70.23 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.118 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.26 -38.64 66.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.501 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.84 62.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.469 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.43 -44.61 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.12 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.44 -30.01 59.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.071 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.584 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 5.6 mmt-85 -81.32 -30.29 33.92 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -66.83 -50.57 62.17 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.314 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.14 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.072 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.31 -56.96 3.83 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.48 -27.87 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.215 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.79 -52.02 66.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.48 -42.88 58.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.774 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -58.67 -23.45 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.49 -30.94 57.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -69.79 -74.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -60.43 -176.59 0.05 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.28 -53.32 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -135.72 87.19 26.23 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.73 -29.49 23.91 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.672 2.248 . . . . 0.0 112.435 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.23 62.57 2.42 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.978 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.527 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 11.0 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.973 0.416 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.08 -65.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.588 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.3 -37.65 28.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 26.0 tt0 -56.39 -56.64 18.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.68 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 1' ' ' SER . 1.2 tm-20 -50.8 -54.69 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.089 0.471 . . . . 0.0 109.836 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -58.26 -34.71 70.78 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.151 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.93 -38.8 65.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.747 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.81 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.55 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -75.14 -43.29 53.31 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.21 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.63 -29.84 51.96 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.78 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 11.3 mmt180 -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -66.62 -50.57 62.57 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.353 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -32.07 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.067 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.11 -57.3 3.69 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.06 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.19 -28.11 67.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.557 0.218 . . . . 0.0 111.036 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.22 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.68 64.63 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -58.46 -21.95 53.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.009 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 31.28 5.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.979 0.418 . . . . 0.0 111.284 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -82.83 -66.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -76.01 158.59 31.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.03 125.48 0.91 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -159.25 84.48 2.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 -33.78 14.47 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.593 2.195 . . . . 0.0 112.412 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.54 90.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.504 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.961 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.525 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 5.3 m . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 121.029 0.442 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.5 -66.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.272 0.558 . . . . 0.0 110.701 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.26 -37.3 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.253 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 25.1 tt0 -56.35 -56.78 16.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.44 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 1' ' ' SER . 2.6 tm-20 -50.85 -54.73 21.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.306 0.574 . . . . 0.0 109.885 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.767 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.75 -35.55 70.89 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.129 178.114 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -37.25 64.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.878 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.46 -31.01 63.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.62 0.724 . . . . 0.0 109.089 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.639 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.4 tp -73.97 -38.33 64.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.767 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -77.93 -32.05 51.39 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.535 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.53 -31.17 32.88 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.426 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.29 -50.64 64.93 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.106 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -76.82 -34.22 57.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.093 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.39 3.62 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.49 -28.17 65.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.379 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.7 -51.95 67.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' CD ' HD11 ' A' ' 14' ' ' LEU . 8.5 mt-30 -57.96 -23.18 52.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.176 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.96 36.74 1.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.006 0.432 . . . . 0.0 111.077 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' NZ ' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -85.08 -66.21 0.92 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.039 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -105.28 -178.09 3.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.97 45.39 0.05 OUTLIER Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.339 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -149.67 162.11 29.44 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.651 0.263 . . . . 0.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.2 91.71 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.723 2.282 . . . . 0.0 112.222 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.41 -44.24 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.611 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.959 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 5.6 m . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 121.431 0.634 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.01 -59.17 2.31 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.306 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.06 -37.47 28.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.218 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -55.32 -56.34 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.064 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.0 tm-20 -50.59 -54.87 19.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.03 -34.99 70.66 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.079 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.14 -38.52 65.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.747 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -31.16 62.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.51 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.83 -43.26 59.28 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.065 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.11 -29.53 49.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.75 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.9 mmt85 -81.45 -31.33 33.08 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.35 -50.72 64.51 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.334 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.568 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mmt85 -76.74 -33.18 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.164 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.739 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.32 -57.16 3.73 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -52.29 -50.14 62.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.35 -52.04 67.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 13' ' ' ARG . 4.0 mm? -61.01 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.667 ' OE1' HD11 ' A' ' 14' ' ' LEU . 14.6 mt-30 -60.16 -19.97 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.905 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.17 -45.17 16.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.049 0.452 . . . . 0.0 111.184 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -60.85 -36.31 78.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -106.0 148.61 27.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.43 150.26 20.67 Favored Glycine 0 N--CA 1.455 -0.074 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.37 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.35 149.04 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.802 0.334 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.67 -29.1 40.12 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.761 2.307 . . . . 0.0 112.201 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.12 30.0 6.9 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.332 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.147 -0.93 . . . . 0.0 111.025 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 51.6 m . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.309 0.576 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.44 -58.76 2.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.36 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.27 -37.24 28.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.267 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.3 -56.46 19.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.2 tm-20 -50.79 -54.61 22.15 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.885 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -58.4 -34.7 71.03 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 121.723 0.773 . . . . 0.0 109.056 178.233 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -54.25 -38.97 66.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.486 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.98 62.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.704 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.57 -52.94 8.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.276 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.885 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -65.56 -31.55 72.66 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.419 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.4 tpp85 -81.35 -30.46 33.77 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.85 -50.45 62.49 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.258 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.78 -31.56 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.959 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.74 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.2 -57.55 3.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 0.0 111.843 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.84 -27.94 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.333 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.53 -51.94 67.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.019 0.437 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.56 -46.78 65.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -58.6 -21.79 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.87 36.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -98.74 -31.82 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.033 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -91.52 -31.38 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.77 162.39 16.03 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.1 m-20 -60.26 -60.67 9.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 23' ' ' ASP . 58.9 Cg_endo -72.36 115.72 4.44 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.333 2.022 . . . . 0.0 112.173 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.94 34.54 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.389 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.85 179.88 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.525 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 6.3 m . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 121.318 0.58 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.66 -66.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.588 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -81.26 -37.45 28.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.131 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 22.1 tt0 -56.04 -57.06 13.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.536 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 1' ' ' SER . 6.6 tm-20 -50.56 -54.95 18.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 109.815 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.903 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -57.78 -35.41 70.74 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.112 178.158 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.02 -38.4 65.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.899 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -30.95 69.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.805 0.812 . . . . 0.0 109.09 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.651 ' HB3' HD23 ' A' ' 6' ' ' LEU . 5.6 tp -77.87 -36.61 49.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.747 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.903 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -71.85 -35.76 69.94 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.705 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.64 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.36 -30.01 33.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -65.85 -50.74 63.49 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.674 -0.81 . . . . 0.0 109.137 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -76.59 -34.63 58.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.033 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.31 -56.99 3.81 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.97 -27.9 65.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 111.182 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.13 -51.63 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.952 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.05 -46.04 17.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' OE1' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.73 -22.27 45.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.06 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -108.45 31.31 5.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.188 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -65.98 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -132.83 31.42 3.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.648 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.76 -95.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.431 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -114.29 87.11 12.96 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.723 0.297 . . . . 0.0 111.04 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 -27.88 31.77 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.417 2.078 . . . . 0.0 112.513 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.84 58.73 4.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.711 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.912 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 121.335 0.588 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.3 -59.27 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.164 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.93 -37.47 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.362 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.17 -56.14 23.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.282 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 1' ' ' SER . 4.8 tm-20 -50.95 -54.66 22.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 109.781 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.695 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.3 tp -58.11 -34.87 70.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 121.789 0.804 . . . . 0.0 109.189 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -38.16 65.57 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.779 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 12' ' ' GLN . . . -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.513 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.79 -47.68 24.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.29 -30.14 65.89 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.021 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.16 -29.74 34.61 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 1.8 mp0 -66.37 -51.13 60.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.364 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -32.44 57.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.155 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.736 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.33 -57.56 3.55 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.92 -27.82 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.72 -51.94 66.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.45 -42.88 58.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.03 -23.12 61.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.3 34.82 3.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -130.04 29.27 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -105.9 142.25 35.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.11 -57.39 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.409 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -133.76 87.33 36.25 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.623 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -52.44 -38.46 74.2 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.571 2.181 . . . . 0.0 112.129 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.03 48.9 2.46 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.615 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.852 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 13.7 m . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 121.392 0.615 . . . . 0.0 111.418 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.15 -59.01 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.288 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -81.09 -37.5 28.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.301 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.36 -56.28 21.96 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -50.65 -54.89 19.36 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.699 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.888 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.1 tp -57.93 -35.11 70.62 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.21 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.01 -38.85 65.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.685 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.89 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.821 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.75 -53.15 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.067 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.888 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -63.91 -32.66 74.26 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.363 -179.74 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.646 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.6 mmt180 -81.08 -30.05 34.81 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -50.72 63.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.082 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -34.36 57.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.245 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.709 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.4 -57.16 3.73 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.92 -27.65 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.769 0.319 . . . . 0.0 111.344 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.84 -51.78 68.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tp -79.96 -42.76 23.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.569 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.5 mt-30 -58.13 -23.3 54.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.49 -40.31 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -106.01 29.26 6.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.041 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.06 -34.79 78.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.83 -47.64 0.45 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.52 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.31 167.44 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 -166.36 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.462 2.108 . . . . 0.0 112.11 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.18 -48.25 5.46 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.539 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.744 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 67.5 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.207 0.527 . . . . 0.0 111.373 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.89 -59.32 2.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.206 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -80.95 -37.59 29.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.134 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.09 -56.16 22.94 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.342 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.9 OUTLIER -50.98 -54.69 22.24 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.76 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.641 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.9 tp -58.15 -34.82 70.7 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 121.673 0.749 . . . . 0.0 109.243 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.11 -38.58 65.55 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.656 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.82 62.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.501 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.11 -43.26 53.85 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.755 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.62 -29.49 51.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.893 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.6 mmt85 -81.81 -30.5 32.19 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -50.6 60.19 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.59 -30.73 57.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.929 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.755 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.21 -57.16 3.74 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.63 -41.24 85.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.543 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.97 -41.08 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 17' ' ' LEU . 10.0 tp -71.45 -49.65 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -18.0 62.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.934 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.89 32.6 6.06 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.164 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -105.77 -39.71 5.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.942 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.34 80.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.04 -145.28 4.41 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.394 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.64 150.45 70.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 -44.41 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.684 2.256 . . . . 0.0 112.229 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.79 49.6 1.01 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.524 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.921 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 20.0 m . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 121.376 0.608 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.02 -58.87 2.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.329 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.15 -37.64 28.46 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.285 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -55.25 -56.32 21.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.974 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.3 OUTLIER -50.68 -54.69 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.265 0.555 . . . . 0.0 109.873 179.751 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.636 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.8 tp -58.28 -35.01 71.16 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.978 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.22 -38.28 65.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.768 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.75 61.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.477 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.26 -43.67 50.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.263 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.771 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.07 -29.19 49.04 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 -179.729 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 11.6 tpt180 -81.26 -31.65 33.62 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.89 -50.45 62.4 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.171 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -31.11 58.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.819 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.771 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.1 tp -80.23 -57.67 3.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.636 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.07 -27.91 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.509 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.7 -52.1 66.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.93 -39.97 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -59.07 -24.06 62.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.71 32.99 3.37 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -106.52 -74.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.168 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -100.11 35.4 2.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.735 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.56 173.29 22.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.418 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.71 80.01 0.27 Allowed Pre-proline 0 C--O 1.233 0.202 0 CA-C-O 120.784 0.325 . . . . 0.0 110.753 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.05 -56.73 2.65 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.51 2.14 . . . . 0.0 112.307 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.94 123.99 2.71 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.813 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 3.9 m . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 121.334 0.588 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.11 -59.06 2.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.202 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -81.25 -37.45 28.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.401 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.89 -56.34 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.195 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.7 tm-20 -50.71 -54.68 21.2 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.227 0.536 . . . . 0.0 109.928 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.747 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.7 OUTLIER -57.59 -35.91 71.03 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.06 177.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.23 -37.62 64.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.899 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.12 63.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.555 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.7 tp -73.49 -41.45 63.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.747 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -78.62 -29.93 46.23 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.613 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.632 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 26.2 mmt180 -81.63 -31.24 32.51 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -65.14 -50.52 65.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.228 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.779 ' O ' HD13 ' A' ' 17' ' ' LEU . 66.9 mtp180 -76.77 -34.85 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.187 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.4 tm? -80.08 -57.51 3.59 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -56.28 -29.95 61.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.409 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.88 -51.97 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.779 HD13 ' O ' ' A' ' 13' ' ' ARG . 8.4 mp -65.07 -44.17 89.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.525 ' OE1' HD11 ' A' ' 14' ' ' LEU . 14.8 mt-30 -58.69 -22.5 57.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.089 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.39 37.21 2.26 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -60.85 -55.96 26.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.75 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 60.57 110.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.31 -166.97 10.81 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.477 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -135.4 87.21 27.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.87 0.367 . . . . 0.0 111.028 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.33 90.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.666 2.244 . . . . 0.0 112.242 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.41 44.79 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.15 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.442 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.03 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.392 0.615 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.11 -58.91 2.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.532 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -81.14 -37.71 28.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.054 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.01 -56.12 23.3 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.33 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.2 OUTLIER -50.84 -54.63 22.18 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 109.928 179.591 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.697 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.36 -34.89 71.17 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.156 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -54.07 -37.81 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.577 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.7 62.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 9' ' ' LEU . 4.2 tp -73.6 -39.61 64.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.725 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.31 -30.96 48.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.782 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.632 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.7 mpt_? -81.42 -31.49 33.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -65.16 -50.58 65.41 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.304 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -34.28 57.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.989 178.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.725 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.29 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -28.04 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.79 0.329 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.99 -52.1 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.461 HD12 ' NZ ' ' A' ' 20' ' ' LYS . 2.5 tp -79.72 -45.88 18.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.69 -22.18 44.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.59 -31.18 11.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.206 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' NZ ' HD12 ' A' ' 17' ' ' LEU . 3.7 ttpm? -82.09 -65.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -131.85 128.39 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.43 -78.73 0.39 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.667 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 60.68 83.38 0.21 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.831 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.27 -45.72 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.58 45.5 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.451 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.839 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 121.413 0.625 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.06 -37.53 28.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.176 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.32 -56.8 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.506 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -54.64 23.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.642 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.9 tp -58.19 -35.14 71.19 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.878 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -38.49 64.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.693 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.7 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.565 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.48 -44.33 44.56 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.57 -30.18 59.56 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.846 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.564 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.8 mmt180 -81.22 -31.04 34.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -65.32 -50.87 63.99 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.572 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' HD23 ' A' ' 17' ' ' LEU . 8.7 mmt180 -76.91 -33.02 57.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.137 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.733 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.42 -57.27 3.67 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -52.09 -49.24 63.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 111.632 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.7 -52.31 66.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 13' ' ' ARG . 4.0 mm? -60.96 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.17 -20.05 56.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 110.925 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 121.577 0.703 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.2 -37.43 28.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.308 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.2 -56.26 21.99 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.203 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.71 -54.81 20.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.214 0.531 . . . . 0.0 109.771 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.9 tp -58.37 -34.75 71.03 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.074 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.52 65.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.735 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.86 62.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.385 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.9 -43.38 58.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.101 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.748 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.04 -29.51 49.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.4 mmt85 -81.54 -30.96 32.93 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.31 -50.85 62.24 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.335 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.53 -31.96 57.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.111 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.748 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.29 -57.39 3.63 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.96 -27.75 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.191 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.73 -52.23 66.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.737 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.87 -46.58 68.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.79 -21.95 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 121.502 0.668 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -80.96 -37.58 29.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.262 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.09 -56.47 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -50.7 -54.81 20.15 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.642 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.8 tp -57.85 -35.15 70.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.954 0.883 . . . . 0.0 109.208 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.4 -38.2 65.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.872 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.12 62.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.405 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.33 -43.49 50.45 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.0 -29.34 49.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.857 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.591 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.2 tpt180 -81.18 -32.18 33.7 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -65.81 -50.25 65.33 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.683 -0.807 . . . . 0.0 108.862 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -76.44 -33.6 58.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.147 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.743 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.11 -57.46 3.62 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -27.65 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 111.404 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -59.66 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -79.46 -44.44 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.551 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -57.63 -22.97 48.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.035 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.089 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.211 0.529 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.08 -37.58 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.352 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.38 -56.87 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.47 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -50.8 -54.9 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.614 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -57.91 -34.79 70.21 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.145 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.57 -38.26 66.45 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.639 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.88 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.566 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.46 -44.73 42.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.284 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.723 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.47 -30.25 59.86 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.932 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.64 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 17.1 mmt85 -81.25 -30.4 34.14 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -65.69 -50.68 64.01 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.202 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -34.85 58.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.288 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.723 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.64 -57.08 3.74 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.54 -28.34 65.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.707 0.289 . . . . 0.0 111.327 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.85 -51.91 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.19 -46.09 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.524 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -57.82 -22.13 45.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.691 0.758 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.27 -37.41 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.216 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -55.23 -56.39 20.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -50.65 -54.71 20.74 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.853 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.886 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.1 tp -58.28 -34.79 70.91 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.083 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -54.16 -38.82 65.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.797 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.2 62.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.887 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp -77.82 -52.75 8.4 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.339 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.886 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -64.12 -32.87 74.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.163 -179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.643 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 20.0 mmt180 -81.22 -29.61 34.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -66.08 -50.72 63.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.3 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -76.75 -34.62 58.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.037 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.37 -57.1 3.76 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.02 -28.0 65.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.897 0.379 . . . . 0.0 111.401 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.33 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.993 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tp -79.46 -43.12 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.554 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.9 mt-30 -57.98 -23.19 52.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.155 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.256 0.55 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.5 -39.5 31.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.004 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -56.43 16.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.685 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.86 -54.92 19.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.316 0.579 . . . . 0.0 109.958 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.3 tp -57.91 -34.86 70.28 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.654 0.74 . . . . 0.0 109.148 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.84 65.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.898 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -30.8 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.612 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.93 -44.9 53.51 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.114 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.762 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -78.02 -28.75 49.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.049 -179.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.5 tpp180 -81.48 -32.02 32.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -66.08 -50.48 63.96 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.265 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -76.36 -31.88 58.3 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.014 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.762 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 2.0 tp -80.3 -57.4 3.62 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.67 -28.09 66.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 111.251 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.37 -51.93 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.83 -42.92 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -58.98 -23.19 61.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.196 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 121.284 0.564 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.31 -37.68 27.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -56.22 -56.57 19.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.682 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.0 -54.64 22.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.297 0.57 . . . . 0.0 109.97 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.769 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.73 -35.61 70.93 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.119 177.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -37.43 64.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.69 -30.61 62.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 109.11 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.3 tp -73.92 -38.74 64.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.693 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.769 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -78.09 -31.87 50.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.645 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.9 mpt_? -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -65.23 -50.94 63.9 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.125 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -76.38 -34.8 58.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.163 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.722 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.14 -57.17 3.75 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.69 -28.06 65.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.69 0.281 . . . . 0.0 111.342 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.85 -51.84 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.55 -43.13 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.551 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.2 mt-30 -57.91 -23.21 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.95 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.715 0.769 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -81.11 -37.62 28.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.241 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.0 -56.42 19.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -54.76 21.32 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.321 0.581 . . . . 0.0 109.677 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.696 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 3.4 tp -57.93 -35.05 70.55 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.327 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.08 -37.75 64.57 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.792 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.88 62.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.2 tp -74.24 -40.75 62.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.982 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.57 -31.57 57.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.714 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.637 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.7 mpt_? -81.5 -31.45 32.84 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.08 -50.6 65.5 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.794 -0.763 . . . . 0.0 109.163 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -76.75 -34.34 58.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.027 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.1 -57.55 3.57 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.53 -27.96 65.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 111.4 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.87 -52.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.48 -42.4 25.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.555 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.6 mt-30 -58.22 -23.34 55.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.986 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 121.361 0.601 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.33 -37.48 28.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.173 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -56.25 -56.91 15.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.512 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.81 -54.96 19.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.7 tp -57.86 -34.89 70.23 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.118 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.26 -38.64 66.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.501 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.84 62.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.469 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.43 -44.61 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.12 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.44 -30.01 59.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.071 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.584 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 5.6 mmt-85 -81.32 -30.29 33.92 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -66.83 -50.57 62.17 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.314 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.14 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.072 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.31 -56.96 3.83 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.48 -27.87 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.215 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.79 -52.02 66.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.48 -42.88 58.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.774 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -58.67 -23.45 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 0 CA-C-O 121.11 0.481 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.3 -37.65 28.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -56.39 -56.64 18.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.68 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.8 -54.69 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.089 0.471 . . . . 0.0 109.836 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -58.26 -34.71 70.78 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.151 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.93 -38.8 65.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.747 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.81 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.55 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -75.14 -43.29 53.31 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.21 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.63 -29.84 51.96 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.78 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 11.3 mmt180 -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -66.62 -50.57 62.57 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.353 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -32.07 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.067 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.11 -57.3 3.69 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.06 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.19 -28.11 67.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.557 0.218 . . . . 0.0 111.036 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.22 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.68 64.63 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -58.46 -21.95 53.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.009 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.979 0.418 . . . . 0.0 111.284 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 121.272 0.558 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.26 -37.3 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.253 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -56.35 -56.78 16.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.44 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -50.85 -54.73 21.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.306 0.574 . . . . 0.0 109.885 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.767 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.75 -35.55 70.89 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.129 178.114 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -37.25 64.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.878 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.46 -31.01 63.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.62 0.724 . . . . 0.0 109.089 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.639 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.4 tp -73.97 -38.33 64.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.767 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -77.93 -32.05 51.39 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.535 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.53 -31.17 32.88 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.426 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.29 -50.64 64.93 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.106 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -76.82 -34.22 57.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.093 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.39 3.62 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.49 -28.17 65.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.379 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.7 -51.95 67.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' CD ' HD11 ' A' ' 14' ' ' LEU . 8.5 mt-30 -57.96 -23.18 52.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.176 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.006 0.432 . . . . 0.0 111.077 -179.891 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 121.654 0.74 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.06 -37.47 28.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.218 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -55.32 -56.34 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.064 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -50.59 -54.87 19.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.03 -34.99 70.66 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.079 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.14 -38.52 65.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.747 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -31.16 62.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.51 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.83 -43.26 59.28 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.065 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.11 -29.53 49.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.75 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.9 mmt85 -81.45 -31.33 33.08 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.35 -50.72 64.51 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.334 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.568 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mmt85 -76.74 -33.18 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.164 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.739 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.32 -57.16 3.73 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -52.29 -50.14 62.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.35 -52.04 67.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 13' ' ' ARG . 4.0 mm? -61.01 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.667 ' OE1' HD11 ' A' ' 14' ' ' LEU . 14.6 mt-30 -60.16 -19.97 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.905 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.049 0.452 . . . . 0.0 111.184 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.27 -37.24 28.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.267 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.3 -56.46 19.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -50.79 -54.61 22.15 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.885 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -58.4 -34.7 71.03 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 121.723 0.773 . . . . 0.0 109.056 178.233 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -54.25 -38.97 66.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.486 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.98 62.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.704 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.57 -52.94 8.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.276 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.885 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -65.56 -31.55 72.66 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.419 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.4 tpp85 -81.35 -30.46 33.77 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.85 -50.45 62.49 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.258 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.78 -31.56 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.959 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.74 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.2 -57.55 3.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 0.0 111.843 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.84 -27.94 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.333 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.53 -51.94 67.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.019 0.437 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.56 -46.78 65.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.6 -21.79 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.117 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 121.249 0.547 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -81.26 -37.45 28.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.131 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -56.04 -57.06 13.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.536 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -50.56 -54.95 18.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 109.815 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.903 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -57.78 -35.41 70.74 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.112 178.158 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.02 -38.4 65.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.899 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -30.95 69.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.805 0.812 . . . . 0.0 109.09 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.651 ' HB3' HD23 ' A' ' 6' ' ' LEU . 5.6 tp -77.87 -36.61 49.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.747 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.903 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -71.85 -35.76 69.94 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.705 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.64 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.36 -30.01 33.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -65.85 -50.74 63.49 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.674 -0.81 . . . . 0.0 109.137 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -76.59 -34.63 58.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.033 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.31 -56.99 3.81 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.97 -27.9 65.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 111.182 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.13 -51.63 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.952 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.05 -46.04 17.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' OE1' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.73 -22.27 45.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.06 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.188 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.723 0.773 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.93 -37.47 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.362 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.17 -56.14 23.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.282 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -50.95 -54.66 22.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 109.781 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.695 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.3 tp -58.11 -34.87 70.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 121.789 0.804 . . . . 0.0 109.189 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -38.16 65.57 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.779 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 12' ' ' GLN . . . -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.513 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.79 -47.68 24.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.29 -30.14 65.89 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.021 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.16 -29.74 34.61 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 1.8 mp0 -66.37 -51.13 60.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.364 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -32.44 57.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.155 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.736 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.33 -57.56 3.55 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.92 -27.82 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.72 -51.94 66.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.45 -42.88 58.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.03 -23.12 61.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.029 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -81.09 -37.5 28.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.301 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.36 -56.28 21.96 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -54.89 19.36 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.888 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.1 tp -57.93 -35.11 70.62 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.21 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.01 -38.85 65.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.685 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.89 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.821 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.75 -53.15 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.067 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.888 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -63.91 -32.66 74.26 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.363 -179.74 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.646 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.6 mmt180 -81.08 -30.05 34.81 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -50.72 63.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.082 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -34.36 57.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.245 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.709 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.4 -57.16 3.73 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.92 -27.65 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.769 0.319 . . . . 0.0 111.344 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.84 -51.78 68.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tp -79.96 -42.76 23.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.569 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.5 mt-30 -58.13 -23.3 54.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.568 0.699 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -80.95 -37.59 29.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.134 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.09 -56.16 22.94 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.342 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.98 -54.69 22.24 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.641 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.9 tp -58.15 -34.82 70.7 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 121.673 0.749 . . . . 0.0 109.243 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.11 -38.58 65.55 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.656 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.82 62.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.501 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.11 -43.26 53.85 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.755 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.62 -29.49 51.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.893 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.6 mmt85 -81.81 -30.5 32.19 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -50.6 60.19 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.59 -30.73 57.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.929 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.755 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.21 -57.16 3.74 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.63 -41.24 85.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.543 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.97 -41.08 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 17' ' ' LEU . 10.0 tp -71.45 -49.65 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -18.0 62.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.934 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.124 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.164 179.904 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 121.733 0.778 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.15 -37.64 28.46 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.285 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -55.25 -56.32 21.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.974 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -54.69 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.265 0.555 . . . . 0.0 109.873 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.636 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.8 tp -58.28 -35.01 71.16 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.978 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.22 -38.28 65.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.768 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.75 61.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.477 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.26 -43.67 50.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.263 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.771 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.07 -29.19 49.04 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 -179.729 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 11.6 tpt180 -81.26 -31.65 33.62 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.89 -50.45 62.4 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.171 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -31.11 58.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.819 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.771 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.1 tp -80.23 -57.67 3.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.636 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.07 -27.91 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.509 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.7 -52.1 66.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.93 -39.97 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -59.07 -24.06 62.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 179.836 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -81.25 -37.45 28.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.401 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.89 -56.34 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.195 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.71 -54.68 21.2 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.227 0.536 . . . . 0.0 109.928 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.747 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.7 OUTLIER -57.59 -35.91 71.03 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.06 177.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.23 -37.62 64.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.899 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.12 63.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.555 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.7 tp -73.49 -41.45 63.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.747 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -78.62 -29.93 46.23 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.613 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.632 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 26.2 mmt180 -81.63 -31.24 32.51 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -65.14 -50.52 65.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.228 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.779 ' O ' HD13 ' A' ' 17' ' ' LEU . 66.9 mtp180 -76.77 -34.85 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.187 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.4 tm? -80.08 -57.51 3.59 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -56.28 -29.95 61.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.409 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.88 -51.97 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.779 HD13 ' O ' ' A' ' 13' ' ' ARG . 8.4 mp -65.07 -44.17 89.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.525 ' OE1' HD11 ' A' ' 14' ' ' LEU . 14.8 mt-30 -58.69 -22.5 57.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.089 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.098 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 121.656 0.741 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -81.14 -37.71 28.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.054 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.01 -56.12 23.3 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.33 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -54.63 22.18 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 109.928 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.697 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.36 -34.89 71.17 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.156 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -54.07 -37.81 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.577 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.7 62.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.2 tp -73.6 -39.61 64.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.725 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.31 -30.96 48.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.782 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.632 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.7 mpt_? -81.42 -31.49 33.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -65.16 -50.58 65.41 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.304 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -34.28 57.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.989 178.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.725 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.29 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -28.04 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.79 0.329 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.99 -52.1 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tp -79.72 -45.88 18.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.54 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -57.69 -22.18 44.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.174 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.206 179.79 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 11.5 m . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.983 0.42 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.65 -66.01 0.45 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.413 0.625 . . . . 0.0 110.639 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.06 -37.53 28.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.176 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.477 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 20.9 tt0 -56.32 -56.8 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.506 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.4 OUTLIER -51.06 -54.64 23.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.642 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.9 tp -58.19 -35.14 71.19 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.878 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -38.49 64.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.693 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.7 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.565 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.48 -44.33 44.56 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.57 -30.18 59.56 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.846 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.564 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.8 mmt180 -81.22 -31.04 34.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -65.32 -50.87 63.99 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.572 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' HD23 ' A' ' 17' ' ' LEU . 8.7 mmt180 -76.91 -33.02 57.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.137 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.733 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.42 -57.27 3.67 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -52.09 -49.24 63.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 111.632 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.7 -52.31 66.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 13' ' ' ARG . 4.0 mm? -60.96 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.17 -20.05 56.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.07 -31.24 39.36 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -98.69 29.13 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -89.09 -176.48 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.156 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.12 169.6 11.61 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.437 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -176.57 82.64 0.27 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 111.03 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.01 -42.17 3.37 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.512 2.141 . . . . 0.0 112.407 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.29 43.81 94.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.593 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 3.9 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.368 0.604 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.98 -59.07 2.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.49 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.2 -37.43 28.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.308 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.2 -56.26 21.99 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.203 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -50.71 -54.81 20.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.214 0.531 . . . . 0.0 109.771 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.9 tp -58.37 -34.75 71.03 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.074 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.52 65.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.735 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.86 62.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.385 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.9 -43.38 58.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.101 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.748 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.04 -29.51 49.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.4 mmt85 -81.54 -30.96 32.93 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.31 -50.85 62.24 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.335 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.53 -31.96 57.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.111 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.748 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.29 -57.39 3.63 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.96 -27.75 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.191 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.73 -52.23 66.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.737 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD12 ' CE ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -68.87 -46.58 68.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.79 -21.95 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.6 -54.16 5.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.685 ' CE ' HD12 ' A' ' 17' ' ' LEU . 10.5 pttm -71.01 -37.1 72.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -99.6 93.74 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.821 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.74 -152.86 22.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.554 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -168.62 149.66 4.46 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.964 0.411 . . . . 0.0 110.734 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 -41.31 4.16 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.516 2.144 . . . . 0.0 112.428 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.72 -164.72 24.26 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.81 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 121.212 0.53 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.18 -59.04 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.428 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -80.96 -37.58 29.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.262 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.09 -56.47 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.9 tm-20 -50.7 -54.81 20.15 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.642 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.8 tp -57.85 -35.15 70.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.954 0.883 . . . . 0.0 109.208 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.4 -38.2 65.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.872 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -31.12 62.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.405 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.33 -43.49 50.45 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.0 -29.34 49.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.857 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.591 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.2 tpt180 -81.18 -32.18 33.7 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -65.81 -50.25 65.33 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.683 -0.807 . . . . 0.0 108.862 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -76.44 -33.6 58.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.147 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.743 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.11 -57.46 3.62 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -27.65 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 111.404 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -59.66 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -79.46 -44.44 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.551 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -57.63 -22.97 48.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.035 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.98 31.44 5.69 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.43 -31.63 8.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -60.16 99.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.56 102.92 0.16 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.344 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.39 149.95 75.01 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.785 0.326 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.16 83.83 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.07 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.73 105.45 0.75 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.479 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.755 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 9.6 m . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.05 0.452 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.71 -65.86 0.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.211 0.529 . . . . 0.0 110.78 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.08 -37.58 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.352 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 25.8 tt0 -56.38 -56.87 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.47 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 1' ' ' SER . 1.3 tm-20 -50.8 -54.9 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.614 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -57.91 -34.79 70.21 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.145 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.57 -38.26 66.45 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.639 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.88 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.566 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -75.46 -44.73 42.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.284 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.723 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.47 -30.25 59.86 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.932 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.64 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 17.1 mmt85 -81.25 -30.4 34.14 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -65.69 -50.68 64.01 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.202 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -34.85 58.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.288 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.723 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.64 -57.08 3.74 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.54 -28.34 65.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.707 0.289 . . . . 0.0 111.327 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.85 -51.91 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' HD2' ' A' ' 20' ' ' LYS . 8.9 tp -80.19 -46.09 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.524 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -57.82 -22.13 45.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -105.01 36.84 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HD2' HD12 ' A' ' 17' ' ' LEU . 32.4 mttt -105.29 -74.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -107.33 -67.85 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.756 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.32 163.87 9.85 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.533 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -131.84 87.11 46.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.579 0.228 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.31 -32.95 53.48 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.431 2.087 . . . . 0.0 112.329 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.73 -57.42 2.57 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.918 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 70.4 m . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 121.233 0.539 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.29 -58.95 2.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.691 0.758 . . . . 0.0 109.277 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.27 -37.41 28.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.216 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -55.23 -56.39 20.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.9 tm-20 -50.65 -54.71 20.74 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.853 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.886 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.1 tp -58.28 -34.79 70.91 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.083 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -54.16 -38.82 65.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.797 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.2 62.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.887 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp -77.82 -52.75 8.4 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.339 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.886 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -64.12 -32.87 74.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.163 -179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.643 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 20.0 mmt180 -81.22 -29.61 34.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -66.08 -50.72 63.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.3 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -76.75 -34.62 58.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.037 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.37 -57.1 3.76 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.02 -28.0 65.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.897 0.379 . . . . 0.0 111.401 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.33 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.993 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tp -79.46 -43.12 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.554 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.9 mt-30 -57.98 -23.19 52.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.27 31.25 6.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -107.01 29.11 7.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 60.28 110.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 101.67 0.28 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.378 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -156.28 141.69 12.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.578 0.228 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.59 108.21 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.435 2.09 . . . . 0.0 112.174 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.77 76.4 0.25 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.541 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.972 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.532 ' HA ' ' HB3' ' A' ' 4' ' ' GLU . 54.8 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.386 0.612 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.04 -67.26 0.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.917 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.5 -39.5 31.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.004 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -53.07 -56.43 16.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.685 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.3 OUTLIER -50.86 -54.92 19.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.316 0.579 . . . . 0.0 109.958 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.3 tp -57.91 -34.86 70.28 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.654 0.74 . . . . 0.0 109.148 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.84 65.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.898 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -30.8 62.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.612 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.93 -44.9 53.51 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.114 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.762 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -78.02 -28.75 49.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.049 -179.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.5 tpp180 -81.48 -32.02 32.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -66.08 -50.48 63.96 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.265 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -76.36 -31.88 58.3 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.014 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.762 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 2.0 tp -80.3 -57.4 3.62 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.67 -28.09 66.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 111.251 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.37 -51.93 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.83 -42.92 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -58.98 -23.19 61.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.29 -65.58 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.196 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -60.32 -31.59 70.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 60.56 157.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.36 -143.71 12.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.453 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.2 162.79 18.61 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.613 0.244 . . . . 0.0 110.82 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.98 105.49 1.53 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.392 2.061 . . . . 0.0 112.422 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.77 98.52 2.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.654 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.933 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 6.0 m . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 121.074 0.464 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.11 -66.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.284 0.564 . . . . 0.0 110.812 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.31 -37.68 27.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.464 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 27.0 tt0 -56.22 -56.57 19.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.682 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.1 OUTLIER -51.0 -54.64 22.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.297 0.57 . . . . 0.0 109.97 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.769 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.73 -35.61 70.93 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.119 177.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -37.43 64.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.69 -30.61 62.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 109.11 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.3 tp -73.92 -38.74 64.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.693 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.769 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -78.09 -31.87 50.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.645 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.9 mpt_? -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -65.23 -50.94 63.9 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.125 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -76.38 -34.8 58.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.163 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.722 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.14 -57.17 3.75 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.69 -28.06 65.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.69 0.281 . . . . 0.0 111.342 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.85 -51.84 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.55 -43.13 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.551 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.2 mt-30 -57.91 -23.21 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.51 -39.35 16.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -106.15 29.01 7.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 60.55 110.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.28 127.25 1.06 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.44 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.1 m-20 -178.26 -61.69 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.49 0.186 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 23' ' ' ASP . 58.9 Cg_endo -71.45 124.26 10.2 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.634 2.223 . . . . 0.0 112.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.96 -79.1 0.07 OUTLIER Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.826 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 121.146 0.498 . . . . 0.0 111.389 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.97 -59.16 2.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.715 0.769 . . . . 0.0 109.41 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -81.11 -37.62 28.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.241 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.0 -56.42 19.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -50.91 -54.76 21.32 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.321 0.581 . . . . 0.0 109.677 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.696 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 3.4 tp -57.93 -35.05 70.55 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.327 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.08 -37.75 64.57 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.792 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.88 62.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.2 tp -74.24 -40.75 62.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.982 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.57 -31.57 57.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.714 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.637 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.7 mpt_? -81.5 -31.45 32.84 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.08 -50.6 65.5 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.794 -0.763 . . . . 0.0 109.163 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -76.75 -34.34 58.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.027 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.1 -57.55 3.57 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.53 -27.96 65.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 111.4 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.87 -52.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.48 -42.4 25.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.555 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.6 mt-30 -58.22 -23.34 55.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.75 -31.52 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -63.39 -74.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -92.85 142.74 26.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.56 -163.01 9.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.587 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -76.71 -54.12 1.77 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 111.179 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 23' ' ' ASP . 82.6 Cg_exo -44.57 133.44 9.9 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.918 2.412 . . . . 0.0 112.378 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.53 49.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.985 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 9.2 m . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 121.157 0.503 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.54 -65.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.361 0.601 . . . . 0.0 110.909 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.33 -37.48 28.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.173 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 26.8 tt0 -56.25 -56.91 15.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.512 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.526 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -50.81 -54.96 19.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.7 tp -57.86 -34.89 70.23 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.118 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.26 -38.64 66.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.501 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.84 62.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.469 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.43 -44.61 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.12 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.44 -30.01 59.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.071 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.584 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 5.6 mmt-85 -81.32 -30.29 33.92 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -66.83 -50.57 62.17 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.314 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.14 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.072 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.31 -56.96 3.83 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.48 -27.87 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.215 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.79 -52.02 66.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.48 -42.88 58.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.774 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -58.67 -23.45 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.49 -30.94 57.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -69.79 -74.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -60.43 -176.59 0.05 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.28 -53.32 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -135.72 87.19 26.23 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.73 -29.49 23.91 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.672 2.248 . . . . 0.0 112.435 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.23 62.57 2.42 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.978 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.527 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 11.0 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.973 0.416 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.08 -65.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.588 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.3 -37.65 28.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 26.0 tt0 -56.39 -56.64 18.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.68 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 1' ' ' SER . 1.2 tm-20 -50.8 -54.69 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.089 0.471 . . . . 0.0 109.836 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.2 tp -58.26 -34.71 70.78 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.151 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.93 -38.8 65.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.747 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.81 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.55 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -75.14 -43.29 53.31 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.21 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.63 -29.84 51.96 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.78 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 11.3 mmt180 -81.19 -31.12 34.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -66.62 -50.57 62.57 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.353 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -32.07 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.067 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.742 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.6 tp -80.11 -57.3 3.69 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.06 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.19 -28.11 67.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.557 0.218 . . . . 0.0 111.036 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.22 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.68 64.63 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -58.46 -21.95 53.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.009 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 31.28 5.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.979 0.418 . . . . 0.0 111.284 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -82.83 -66.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -76.01 158.59 31.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.03 125.48 0.91 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -159.25 84.48 2.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 -33.78 14.47 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.593 2.195 . . . . 0.0 112.412 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.54 90.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.504 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.961 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.525 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 5.3 m . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 121.029 0.442 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.5 -66.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.272 0.558 . . . . 0.0 110.701 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.26 -37.3 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.253 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 25.1 tt0 -56.35 -56.78 16.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.44 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 1' ' ' SER . 2.6 tm-20 -50.85 -54.73 21.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.306 0.574 . . . . 0.0 109.885 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.767 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -57.75 -35.55 70.89 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.129 178.114 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -37.25 64.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.878 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.46 -31.01 63.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.62 0.724 . . . . 0.0 109.089 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.639 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.4 tp -73.97 -38.33 64.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.767 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -77.93 -32.05 51.39 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.535 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.53 -31.17 32.88 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.426 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.29 -50.64 64.93 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.106 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -76.82 -34.22 57.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.093 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.39 3.62 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.49 -28.17 65.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.379 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.7 -51.95 67.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' CD ' HD11 ' A' ' 14' ' ' LEU . 8.5 mt-30 -57.96 -23.18 52.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.176 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.96 36.74 1.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.006 0.432 . . . . 0.0 111.077 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' NZ ' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -85.08 -66.21 0.92 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.039 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -105.28 -178.09 3.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.97 45.39 0.05 OUTLIER Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.339 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -149.67 162.11 29.44 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.651 0.263 . . . . 0.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.2 91.71 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.723 2.282 . . . . 0.0 112.222 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.41 -44.24 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.611 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.959 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 5.6 m . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 121.431 0.634 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.01 -59.17 2.31 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.306 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.06 -37.47 28.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.218 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -55.32 -56.34 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.064 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.0 tm-20 -50.59 -54.87 19.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.03 -34.99 70.66 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.079 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.14 -38.52 65.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.747 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -31.16 62.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.51 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.83 -43.26 59.28 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.065 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.11 -29.53 49.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.75 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.9 mmt85 -81.45 -31.33 33.08 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.35 -50.72 64.51 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.334 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.568 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mmt85 -76.74 -33.18 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.164 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.739 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.32 -57.16 3.73 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -52.29 -50.14 62.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.35 -52.04 67.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 13' ' ' ARG . 4.0 mm? -61.01 -49.77 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.667 ' OE1' HD11 ' A' ' 14' ' ' LEU . 14.6 mt-30 -60.16 -19.97 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.905 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.17 -45.17 16.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.049 0.452 . . . . 0.0 111.184 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -60.85 -36.31 78.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -106.0 148.61 27.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.43 150.26 20.67 Favored Glycine 0 N--CA 1.455 -0.074 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.37 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.35 149.04 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.802 0.334 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.67 -29.1 40.12 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.761 2.307 . . . . 0.0 112.201 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.12 30.0 6.9 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.332 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.147 -0.93 . . . . 0.0 111.025 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 51.6 m . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.309 0.576 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.44 -58.76 2.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.36 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.27 -37.24 28.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.267 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.3 -56.46 19.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.2 tm-20 -50.79 -54.61 22.15 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.885 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -58.4 -34.7 71.03 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 121.723 0.773 . . . . 0.0 109.056 178.233 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -54.25 -38.97 66.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.486 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.98 62.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.704 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.57 -52.94 8.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.276 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.885 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -65.56 -31.55 72.66 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.419 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.4 tpp85 -81.35 -30.46 33.77 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.85 -50.45 62.49 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.258 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.78 -31.56 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.959 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.74 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.2 -57.55 3.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 0.0 111.843 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.84 -27.94 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.333 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.53 -51.94 67.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.019 0.437 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.56 -46.78 65.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.6 -21.79 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.87 36.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -98.74 -31.82 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.033 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -91.52 -31.38 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.77 162.39 16.03 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.1 m-20 -60.26 -60.67 9.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 23' ' ' ASP . 58.9 Cg_endo -72.36 115.72 4.44 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.333 2.022 . . . . 0.0 112.173 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.94 34.54 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.389 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.85 179.88 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.525 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 6.3 m . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 121.318 0.58 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.66 -66.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.588 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -81.26 -37.45 28.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.131 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 22.1 tt0 -56.04 -57.06 13.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.536 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 1' ' ' SER . 6.6 tm-20 -50.56 -54.95 18.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 109.815 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.903 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -57.78 -35.41 70.74 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.112 178.158 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.02 -38.4 65.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.899 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -30.95 69.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.805 0.812 . . . . 0.0 109.09 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.651 ' HB3' HD23 ' A' ' 6' ' ' LEU . 5.6 tp -77.87 -36.61 49.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.747 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.903 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -71.85 -35.76 69.94 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.705 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.64 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.36 -30.01 33.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -65.85 -50.74 63.49 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.674 -0.81 . . . . 0.0 109.137 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -76.59 -34.63 58.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.033 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.31 -56.99 3.81 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.97 -27.9 65.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 111.182 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.13 -51.63 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.952 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.05 -46.04 17.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' OE1' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.73 -22.27 45.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.06 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -108.45 31.31 5.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.188 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -65.98 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -132.83 31.42 3.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.648 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.76 -95.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.431 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -114.29 87.11 12.96 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.723 0.297 . . . . 0.0 111.04 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 -27.88 31.77 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.417 2.078 . . . . 0.0 112.513 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.84 58.73 4.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.711 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.912 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 121.335 0.588 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.3 -59.27 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.164 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.93 -37.47 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.362 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.17 -56.14 23.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.282 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 1' ' ' SER . 4.8 tm-20 -50.95 -54.66 22.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 109.781 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.695 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.3 tp -58.11 -34.87 70.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 121.789 0.804 . . . . 0.0 109.189 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -38.16 65.57 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.779 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 12' ' ' GLN . . . -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.513 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.79 -47.68 24.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.29 -30.14 65.89 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.021 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.1 mmt180 -81.16 -29.74 34.61 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 1.8 mp0 -66.37 -51.13 60.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.364 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -32.44 57.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.155 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.736 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.5 tp -80.33 -57.56 3.55 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -59.92 -27.82 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.72 -51.94 66.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.45 -42.88 58.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.03 -23.12 61.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.3 34.82 3.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -130.04 29.27 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -105.9 142.25 35.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.11 -57.39 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.409 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -133.76 87.33 36.25 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.623 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -52.44 -38.46 74.2 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.571 2.181 . . . . 0.0 112.129 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.03 48.9 2.46 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.615 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.852 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 13.7 m . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 121.392 0.615 . . . . 0.0 111.418 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.15 -59.01 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.288 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -81.09 -37.5 28.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.301 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.36 -56.28 21.96 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -50.65 -54.89 19.36 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.699 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.888 HD23 ' NE ' ' A' ' 10' ' ' ARG . 1.1 tp -57.93 -35.11 70.62 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.21 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.01 -38.85 65.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.685 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.89 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.821 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.75 -53.15 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.067 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.888 ' NE ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -63.91 -32.66 74.26 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.363 -179.74 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.646 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.6 mmt180 -81.08 -30.05 34.81 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -50.72 63.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.082 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -34.36 57.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.245 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.709 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.4 -57.16 3.73 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.92 -27.65 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.769 0.319 . . . . 0.0 111.344 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.84 -51.78 68.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tp -79.96 -42.76 23.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.569 ' CD ' HD11 ' A' ' 14' ' ' LEU . 9.5 mt-30 -58.13 -23.3 54.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.49 -40.31 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -106.01 29.26 6.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.041 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.06 -34.79 78.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.83 -47.64 0.45 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.52 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.31 167.44 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 -166.36 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.462 2.108 . . . . 0.0 112.11 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.18 -48.25 5.46 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.539 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.744 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 67.5 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.207 0.527 . . . . 0.0 111.373 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.89 -59.32 2.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.206 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -80.95 -37.59 29.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.134 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.09 -56.16 22.94 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.342 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.9 OUTLIER -50.98 -54.69 22.24 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.76 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.641 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.9 tp -58.15 -34.82 70.7 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 121.673 0.749 . . . . 0.0 109.243 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.11 -38.58 65.55 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.656 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.82 62.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.501 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.11 -43.26 53.85 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.755 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -77.62 -29.49 51.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.893 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.6 mmt85 -81.81 -30.5 32.19 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -50.6 60.19 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.59 -30.73 57.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.929 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.755 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 1.7 tp -80.21 -57.16 3.74 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.63 -41.24 85.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.543 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.97 -41.08 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 17' ' ' LEU . 10.0 tp -71.45 -49.65 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -18.0 62.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.934 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.89 32.6 6.06 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.164 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -105.77 -39.71 5.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.942 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.34 80.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.04 -145.28 4.41 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.394 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.64 150.45 70.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 -44.41 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.684 2.256 . . . . 0.0 112.229 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.79 49.6 1.01 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.524 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.921 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 20.0 m . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 121.376 0.608 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.02 -58.87 2.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.329 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.15 -37.64 28.46 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.285 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -55.25 -56.32 21.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.974 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.3 OUTLIER -50.68 -54.69 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.265 0.555 . . . . 0.0 109.873 179.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.636 HD23 ' HE ' ' A' ' 10' ' ' ARG . 2.8 tp -58.28 -35.01 71.16 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.978 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.22 -38.28 65.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.768 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.75 61.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.477 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.26 -43.67 50.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.263 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.771 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.07 -29.19 49.04 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 -179.729 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 11.6 tpt180 -81.26 -31.65 33.62 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.89 -50.45 62.4 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.171 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -31.11 58.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.819 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.771 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.1 tp -80.23 -57.67 3.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.636 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -60.07 -27.91 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.509 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.7 -52.1 66.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.93 -39.97 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -59.07 -24.06 62.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.71 32.99 3.37 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -106.52 -74.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.168 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -100.11 35.4 2.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.735 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.56 173.29 22.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.418 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.71 80.01 0.27 Allowed Pre-proline 0 C--O 1.233 0.202 0 CA-C-O 120.784 0.325 . . . . 0.0 110.753 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.05 -56.73 2.65 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.51 2.14 . . . . 0.0 112.307 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.94 123.99 2.71 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.813 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 3.9 m . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 121.334 0.588 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.11 -59.06 2.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.202 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -81.25 -37.45 28.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.401 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.89 -56.34 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.195 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 1' ' ' SER . 5.7 tm-20 -50.71 -54.68 21.2 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.227 0.536 . . . . 0.0 109.928 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.747 HD22 ' HD3' ' A' ' 10' ' ' ARG . 0.7 OUTLIER -57.59 -35.91 71.03 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.06 177.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.23 -37.62 64.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.899 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.12 63.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.555 ' HB3' HD23 ' A' ' 6' ' ' LEU . 4.7 tp -73.49 -41.45 63.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.747 ' HD3' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -78.62 -29.93 46.23 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.613 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.632 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 26.2 mmt180 -81.63 -31.24 32.51 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -65.14 -50.52 65.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.228 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.779 ' O ' HD13 ' A' ' 17' ' ' LEU . 66.9 mtp180 -76.77 -34.85 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.187 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.4 tm? -80.08 -57.51 3.59 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -56.28 -29.95 61.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.409 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.88 -51.97 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.779 HD13 ' O ' ' A' ' 13' ' ' ARG . 8.4 mp -65.07 -44.17 89.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.525 ' OE1' HD11 ' A' ' 14' ' ' LEU . 14.8 mt-30 -58.69 -22.5 57.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.089 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.39 37.21 2.26 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -60.85 -55.96 26.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.75 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 60.57 110.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.31 -166.97 10.81 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.477 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -135.4 87.21 27.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.87 0.367 . . . . 0.0 111.028 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.33 90.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.666 2.244 . . . . 0.0 112.242 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.41 44.79 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.15 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.442 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.03 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 1.2 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.392 0.615 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.11 -58.91 2.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.532 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -81.14 -37.71 28.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.054 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.01 -56.12 23.3 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.33 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.2 OUTLIER -50.84 -54.63 22.18 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 109.928 179.591 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.697 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 2.8 tp -58.36 -34.89 71.17 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.156 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -54.07 -37.81 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.577 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.7 62.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.2 tp -73.6 -39.61 64.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.725 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -78.31 -30.96 48.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.782 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.632 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.7 mpt_? -81.42 -31.49 33.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -65.16 -50.58 65.41 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.304 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -34.28 57.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.989 178.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.725 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 3.5 tm? -80.41 -57.29 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 11' ' ' ARG . . . -58.73 -28.04 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.79 0.329 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.99 -52.1 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.461 HD12 ' NZ ' ' A' ' 20' ' ' LYS . 2.5 tp -79.72 -45.88 18.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.54 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -57.69 -22.18 44.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.174 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.59 -31.18 11.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.206 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' NZ ' HD12 ' A' ' 17' ' ' LEU . 3.7 ttpm? -82.09 -65.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -131.85 128.39 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.43 -78.73 0.39 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.667 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 60.68 83.38 0.21 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.831 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.27 -45.72 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.58 45.5 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.451 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.839 179.909 . . . . . . . . 0 0 . 1 stop_ save_