data_1wnn_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 1wnn _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' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.671 0.272 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.5 -37.17 25.6 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.627 2.218 . . . . 0.0 112.418 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.42 87.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -65.26 -47.32 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.638 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.3 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.821 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.62 39.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.28 95.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.81 -41.95 97.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.449 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.86 -38.41 85.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -46.72 72.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -68.37 -47.43 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ttm -56.0 -59.32 5.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -30.78 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.582 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.53 -64.29 0.94 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.949 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -64.48 -32.32 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.02 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.735 0.303 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.89 -44.66 43.61 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.584 2.189 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.25 -47.12 86.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.777 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.76 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.413 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 8.9 mm-40 -60.25 -34.4 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.95 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -63.19 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 7' ' ' GLN . 52.4 mt -62.7 -47.27 84.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.617 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -48.07 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.907 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -63.91 -45.35 89.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.75 -65.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.937 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.51 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.642 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.09 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.656 0.265 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -51.21 -45.45 36.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.551 2.167 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.51 -47.87 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.58 -50.32 74.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -38.71 53.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.58 82.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.07 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.12 -42.85 99.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -50.1 63.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.28 -43.64 97.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ttm -57.88 -58.91 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -29.98 71.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -64.1 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.96 -31.76 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.004 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.1 p . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.725 0.298 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -51.02 -47.14 27.06 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.558 2.172 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.88 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.014 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -60.33 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -40.46 82.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.21 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -70.9 -32.75 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.486 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.67 -55.97 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.717 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -46.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.831 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -62.27 -41.6 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.84 -58.13 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -30.37 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.07 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.97 -31.37 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.958 179.766 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.722 0.296 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.04 -44.96 41.99 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.598 2.199 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.5 85.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.43 -48.12 83.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.72 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -41.21 63.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.71 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.708 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -39.89 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.534 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.09 -51.91 66.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -47.83 83.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -63.55 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -57.68 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -64.5 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.53 -61.37 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.52 -30.84 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.838 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.7 0.286 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.88 -41.11 56.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.571 2.181 . . . . 0.0 112.285 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.03 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -46.07 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.732 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -50.76 -39.7 52.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.8 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.485 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -63.92 -41.85 97.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.458 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.8 -46.68 89.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -48.34 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.371 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.7 ttp -58.17 -55.97 28.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.396 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -35.59 81.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.272 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -59.83 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.67 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.46 -28.42 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.483 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.78 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.681 0.277 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.01 -37.62 30.24 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.7 99.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.997 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -47.36 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -53.61 56.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.49 -65.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -28.9 65.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.463 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.04 -55.95 27.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -46.97 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.24 -44.33 88.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttm -58.11 -50.86 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.435 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -31.3 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.425 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.27 -59.7 4.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -60.84 -29.2 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.673 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.3 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.709 0.29 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.01 -46.06 29.87 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.156 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.74 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.024 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.37 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -57.8 10.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -41.34 60.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -37.04 79.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.557 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.91 86.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.473 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.37 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -47.64 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.931 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -63.5 -43.37 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -57.64 -59.25 5.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.68 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -61.85 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.95 -31.66 71.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.792 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.697 0.284 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.52 -37.19 25.83 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.585 2.19 . . . . 0.0 112.344 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.03 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -63.67 -45.7 88.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -57.38 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -50.82 -40.51 55.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.38 92.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.325 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -40.03 95.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.317 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.56 -42.29 99.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.472 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -48.52 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.74 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -70.49 -36.0 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.526 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -56.77 -55.29 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.552 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -30.75 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.495 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.92 3.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.5 -32.3 72.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.507 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.856 179.785 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.691 0.282 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.99 -48.39 21.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.51 2.14 . . . . 0.0 112.314 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.51 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.29 -45.93 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -35.53 77.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.695 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -61.48 -29.29 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.06 -50.39 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.64 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -46.39 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tpt85 -63.4 -47.89 80.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -56.87 -56.69 18.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -30.04 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.524 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.95 -64.8 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.025 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -64.61 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.669 0.271 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.66 -47.27 23.6 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.615 2.21 . . . . 0.0 112.467 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.3 80.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.26 -43.16 92.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -62.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.806 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -44.58 69.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.71 70.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -41.06 74.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.566 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mt -62.13 -41.56 98.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -49.34 65.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -45.69 84.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 ttp -56.57 -56.36 22.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -29.97 70.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.35 -59.43 5.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.16 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.71 0.29 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.38 -49.76 15.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.568 2.179 . . . . 0.0 112.475 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.94 75.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.75 -50.86 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.65 -54.47 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 2.9 mm-40 -60.91 -35.01 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.738 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.6 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.739 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -32.93 72.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 7' ' ' GLN . 26.2 mt -59.92 -51.29 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.638 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -43.58 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.783 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.33 -46.93 88.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.786 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -56.32 23.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -29.4 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.6 -63.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.969 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.773 0.32 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.28 -46.27 33.97 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.25 82.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.3 73.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.775 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -66.98 -55.32 15.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.26 -39.83 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.13 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.668 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.26 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.394 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 7' ' ' GLN . 15.3 mt -58.48 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -42.85 97.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.54 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -60.66 -42.71 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.59 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -57.4 12.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.09 -31.69 71.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.077 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.698 0.285 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.64 -46.89 27.46 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.564 2.176 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.65 79.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -36.76 83.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -60.83 -50.85 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.777 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.401 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 5.4 tt0 -60.28 -37.09 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.52 -55.44 33.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.526 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -31.16 71.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 7' ' ' GLN . 6.2 mt -60.27 -57.29 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -47.25 86.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.679 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -37.26 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.483 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -60.33 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -63.05 -31.5 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.523 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.24 -65.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.8 -28.45 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.69 0.281 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.99 -41.84 47.06 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.608 2.205 . . . . 0.0 112.39 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.73 91.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -51.19 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.629 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -57.47 -58.32 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -37.36 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.726 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.47 -43.51 93.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.6 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -66.56 -36.28 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.392 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.9 mt -60.59 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.741 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -50.54 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -62.75 -37.83 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.2 ttm -59.49 -61.47 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -33.22 75.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.631 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.97 -65.95 0.58 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -58.61 -29.08 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.189 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.839 0.352 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.5 152.19 39.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.5 -37.17 25.6 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.627 2.218 . . . . 0.0 112.418 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.42 87.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -65.26 -47.32 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.638 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.3 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.821 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.62 39.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.28 95.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.81 -41.95 97.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.449 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.86 -38.41 85.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -46.72 72.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -68.37 -47.43 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ttm -56.0 -59.32 5.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -30.78 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.582 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.53 -64.29 0.94 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.949 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -64.48 -32.32 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -59.14 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.91 79.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -61.49 -52.47 64.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.5 151.1 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -135.7 141.05 44.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.74 70.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p -108.51 160.71 26.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.89 -44.66 43.61 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.584 2.189 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.25 -47.12 86.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.777 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.76 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.413 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 8.9 mm-40 -60.25 -34.4 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.95 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -63.19 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 7' ' ' GLN . 52.4 mt -62.7 -47.27 84.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.617 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -48.07 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.907 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -63.91 -45.35 89.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.75 -65.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.937 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.51 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.642 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.05 -58.11 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.12 93.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -62.29 -55.04 32.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.42 159.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.99 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -77.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.23 135.58 57.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.911 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.773 0.321 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.4 p -80.96 161.78 62.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -51.21 -45.45 36.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.551 2.167 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.51 -47.87 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.58 -50.32 74.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -38.71 53.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.58 82.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.07 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.12 -42.85 99.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -50.1 63.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.28 -43.64 97.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ttm -57.88 -58.91 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -29.98 71.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -64.1 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.96 -31.76 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.54 -54.45 39.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.004 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.92 91.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -30.84 70.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.08 -166.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 60.93 26.4 16.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.11 158.03 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.868 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.88 0.372 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.1 p -86.73 160.71 49.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -51.02 -47.14 27.06 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.558 2.172 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.88 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.014 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -60.33 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -40.46 82.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.21 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -70.9 -32.75 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.486 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.67 -55.97 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.717 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -46.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.831 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -62.27 -41.6 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.84 -58.13 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -30.37 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.07 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.97 -31.37 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -58.97 6.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.958 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.56 -32.74 74.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.22 -12.33 61.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.252 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 62.86 145.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -72.61 75.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -77.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.899 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.841 0.353 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 p -100.06 161.19 25.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.04 -44.96 41.99 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.598 2.199 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.5 85.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.43 -48.12 83.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.72 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -41.21 63.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.71 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.708 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -39.89 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.534 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.09 -51.91 66.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -47.83 83.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -63.55 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -57.68 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -64.5 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.53 -61.37 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.52 -30.84 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -59.07 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.39 87.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -60.0 -31.34 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.26 82.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -96.58 -41.27 8.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.69 117.65 7.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.884 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 p -102.2 162.0 21.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.88 -41.11 56.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.571 2.181 . . . . 0.0 112.285 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.03 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -46.07 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.732 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -50.76 -39.7 52.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.8 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.485 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -63.92 -41.85 97.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.458 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.8 -46.68 89.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -48.34 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.371 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.7 ttp -58.17 -55.97 28.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.396 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -35.59 81.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.272 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -59.83 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.67 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.46 -28.42 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.483 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -53.26 60.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.98 75.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.956 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -55.03 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.759 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 54.85 99.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -106.23 65.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.07 176.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.057 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.92 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.806 0.336 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.34 150.75 38.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.01 -37.62 30.24 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.7 99.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.997 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -47.36 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -53.61 56.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.49 -65.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -28.9 65.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.463 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.04 -55.95 27.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -46.97 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.24 -44.33 88.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttm -58.11 -50.86 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.435 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -31.3 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.425 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.27 -59.7 4.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 21' ' ' GLN . 21.7 t80 -60.84 -29.2 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.673 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.93 -61.81 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.03 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -35.34 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.84 109.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -145.03 41.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.46 146.29 35.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.923 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.843 0.354 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.3 p -86.46 160.44 50.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.01 -46.06 29.87 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.156 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.74 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.024 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.37 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -57.8 10.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -41.34 60.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -37.04 79.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.557 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.91 86.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.473 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.37 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -47.64 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.931 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -63.5 -43.37 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -57.64 -59.25 5.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.68 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -61.85 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.95 -31.66 71.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.4 -52.2 66.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.81 -31.02 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -63.45 -55.59 23.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -60.6 162.24 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -62.12 132.41 52.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.08 165.17 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.895 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 t -98.97 150.1 36.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.52 -37.19 25.83 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.585 2.19 . . . . 0.0 112.344 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.03 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -63.67 -45.7 88.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -57.38 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -50.82 -40.51 55.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.38 92.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.325 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -40.03 95.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.317 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.56 -42.29 99.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.472 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -48.52 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.74 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -70.49 -36.0 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.526 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -56.77 -55.29 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.552 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -30.75 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.495 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.92 3.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.5 -32.3 72.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.507 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.96 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.856 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.93 95.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -61.35 -31.51 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.25 75.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -157.51 59.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 130.08 44.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.921 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.826 0.346 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 p -74.94 160.61 80.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.99 -48.39 21.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.51 2.14 . . . . 0.0 112.314 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.51 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.29 -45.93 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -35.53 77.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.695 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -61.48 -29.29 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.06 -50.39 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.64 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -46.39 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tpt85 -63.4 -47.89 80.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -56.87 -56.69 18.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -30.04 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.524 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.95 -64.8 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.025 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -64.61 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.61 -71.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.17 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -60.62 -38.5 84.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -100.26 152.53 20.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.53 -68.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.25 70.79 0.59 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.919 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.794 0.33 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.0 p -85.97 163.29 43.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.66 -47.27 23.6 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.615 2.21 . . . . 0.0 112.467 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.3 80.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.26 -43.16 92.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -62.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.806 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -44.58 69.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.71 70.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -41.06 74.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.566 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mt -62.13 -41.56 98.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -49.34 65.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -45.69 84.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 ttp -56.57 -56.36 22.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -29.97 70.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.35 -59.43 5.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.16 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.16 -59.92 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.33 80.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -59.94 -44.38 94.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.68 111.44 23.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.02 124.79 15.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.99 70.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.85 0.357 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.95 151.68 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.38 -49.76 15.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.568 2.179 . . . . 0.0 112.475 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.94 75.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.75 -50.86 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.65 -54.47 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 2.9 mm-40 -60.91 -35.01 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.738 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.6 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.739 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -32.93 72.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 7' ' ' GLN . 26.2 mt -59.92 -51.29 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.638 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -43.58 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.783 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.33 -46.93 88.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.786 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -56.32 23.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -29.4 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.6 -63.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.969 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -70.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.75 -38.62 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -60.66 -47.87 84.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.66 130.44 27.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.98 92.72 4.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.51 -32.59 71.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.0 p -98.39 158.93 31.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.28 -46.27 33.97 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.25 82.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.3 73.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.775 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -66.98 -55.32 15.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.26 -39.83 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.13 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.668 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.26 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.394 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 7' ' ' GLN . 15.3 mt -58.48 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -42.85 97.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.54 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -60.66 -42.71 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.59 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -57.4 12.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.09 -31.69 71.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -57.65 10.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.63 97.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -65.97 -59.53 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 55.65 98.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -96.24 83.61 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.67 29.71 2.24 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.453 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.917 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.786 0.327 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 p -97.0 162.1 24.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.64 -46.89 27.46 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.564 2.176 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.65 79.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -36.76 83.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -60.83 -50.85 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.777 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.401 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 5.4 tt0 -60.28 -37.09 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.52 -55.44 33.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.526 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -31.16 71.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 7' ' ' GLN . 6.2 mt -60.27 -57.29 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -47.25 86.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.679 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -37.26 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.483 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -60.33 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -63.05 -31.5 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.523 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.24 -65.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.8 -28.45 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.43 -67.31 0.29 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.8 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -16.23 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -51.44 144.96 9.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.842 0.353 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 61.99 54.71 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.73 64.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.933 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.904 0.383 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.9 p -73.97 162.82 72.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.805 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.99 -41.84 47.06 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.608 2.205 . . . . 0.0 112.39 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.73 91.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -51.19 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.629 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -57.47 -58.32 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -37.36 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.726 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.47 -43.51 93.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.6 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -66.56 -36.28 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.392 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.9 mt -60.59 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.741 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -50.54 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -62.75 -37.83 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.2 ttm -59.49 -61.47 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -33.22 75.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.631 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.97 -65.95 0.58 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 44.3 t80 -58.61 -29.08 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -60.64 3.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.189 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.25 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.243 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -29.25 65.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 17.1 mmt180 -96.44 39.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -166.09 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.84 77.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.91 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.671 0.272 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.5 -37.17 25.6 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.627 2.218 . . . . 0.0 112.418 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.42 87.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -65.26 -47.32 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.638 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.3 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.821 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.62 39.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.28 95.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.81 -41.95 97.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.449 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.86 -38.41 85.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -67.23 -46.72 72.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -68.37 -47.43 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ttm -56.0 -59.32 5.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -30.78 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.582 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -57.53 -64.29 0.94 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.949 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -64.48 -32.32 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.02 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.735 0.303 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.89 -44.66 43.61 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.584 2.189 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.25 -47.12 86.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.777 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.76 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.892 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.9 mm-40 -60.25 -34.4 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.95 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -63.19 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.892 HD12 ' HA ' ' A' ' 7' ' ' GLN . 52.4 mt -62.7 -47.27 84.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.617 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -67.13 -48.07 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.907 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -63.91 -45.35 89.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.75 -65.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.937 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.51 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.642 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.09 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 16.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.656 0.265 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 69.4 Cg_exo -51.21 -45.45 36.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.551 2.167 . . . . 0.0 112.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.51 -47.87 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.58 -50.32 74.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -38.71 53.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.58 82.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.07 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.12 -42.85 99.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -66.99 -50.1 63.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.28 -43.64 97.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ttm -57.88 -58.91 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -29.98 71.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.77 -64.1 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.96 -31.76 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.004 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 33.1 p . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.725 0.298 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 70.0 Cg_exo -51.02 -47.14 27.06 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.558 2.172 . . . . 0.0 112.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.88 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.014 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -60.33 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.843 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -58.4 -40.46 82.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.21 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -70.9 -32.75 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.486 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 7' ' ' GLN . 79.0 mt -61.67 -55.97 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.717 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -63.34 -46.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.831 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -62.27 -41.6 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.84 -58.13 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -30.37 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -60.07 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.97 -31.37 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.958 179.766 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.722 0.296 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.04 -44.96 41.99 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.598 2.199 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.5 85.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.43 -48.12 83.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.72 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -41.21 63.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.71 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.708 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -39.89 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.534 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.09 -51.91 66.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.97 -47.83 83.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -63.55 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -57.68 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -64.5 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.53 -61.37 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.52 -30.84 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.838 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 14.7 p . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.7 0.286 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 71.5 Cg_exo -50.88 -41.11 56.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.571 2.181 . . . . 0.0 112.285 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.03 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -46.07 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.732 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -50.76 -39.7 52.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.8 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.485 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -63.92 -41.85 97.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.458 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.8 -46.68 89.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -58.67 -48.34 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 179.532 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.371 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.7 ttp -58.17 -55.97 28.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.396 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -35.59 81.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.272 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -59.83 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.67 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.46 -28.42 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.483 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.78 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.681 0.277 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.01 -37.62 30.24 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -61.88 -42.7 99.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.997 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -47.36 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -53.61 56.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.734 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . -59.49 -65.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -28.9 65.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.463 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.7 mt -60.04 -55.95 27.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.42 -46.97 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.24 -44.33 88.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttm -58.11 -50.86 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.435 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -31.3 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.425 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.27 -59.7 4.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -60.84 -29.2 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.673 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 48.3 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.709 0.29 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 76.6 Cg_exo -50.01 -46.06 29.87 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.156 . . . . 0.0 112.328 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.74 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.024 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.37 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -57.8 10.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -41.34 60.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -37.04 79.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.557 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.91 86.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.473 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.37 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.75 -47.64 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.931 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -63.5 -43.37 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -57.64 -59.25 5.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.68 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -61.85 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.95 -31.66 71.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.792 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 5' ' ' GLN . 1.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.697 0.284 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.52 -37.19 25.83 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.585 2.19 . . . . 0.0 112.344 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.03 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 2' ' ' THR . 10.4 tt0 -63.67 -45.7 88.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -57.38 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -50.82 -40.51 55.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.38 92.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.325 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -40.03 95.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.317 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.56 -42.29 99.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.472 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.94 -48.52 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.74 179.719 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -70.49 -36.0 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.526 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -56.77 -55.29 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.552 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -30.75 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.495 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.92 3.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.5 -32.3 72.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.507 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.856 179.785 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 66.1 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.691 0.282 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 69.9 Cg_exo -50.99 -48.39 21.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.51 2.14 . . . . 0.0 112.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.51 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.29 -45.93 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.593 ' HE ' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -58.09 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.718 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -61.01 -35.53 77.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.695 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -61.48 -29.29 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.2 mt -61.06 -50.39 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.64 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -67.59 -46.39 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tpt85 -63.4 -47.89 80.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -56.87 -56.69 18.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -30.04 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.524 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.95 -64.8 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.025 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -64.61 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 11.0 p . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.669 0.271 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 73.8 Cg_exo -49.66 -47.27 23.6 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.615 2.21 . . . . 0.0 112.467 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.3 80.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.26 -43.16 92.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -62.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.806 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -44.58 69.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.71 70.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -41.06 74.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.566 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 10' ' ' LEU . 3.8 mt -62.13 -41.56 98.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -67.16 -49.34 65.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -45.69 84.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 ttp -56.57 -56.36 22.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -29.97 70.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.35 -59.43 5.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.16 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 5' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.71 0.29 . . . . 0.0 110.838 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.38 -49.76 15.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.568 2.179 . . . . 0.0 112.475 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.94 75.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB2' HG23 ' A' ' 2' ' ' THR . 1.0 OUTLIER -63.75 -50.86 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.65 -54.47 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.861 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.9 mm-40 -60.91 -35.01 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.738 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.6 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.739 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -32.93 72.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 7' ' ' GLN . 26.2 mt -59.92 -51.29 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.638 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -63.82 -43.58 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.783 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.33 -46.93 88.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.786 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -56.32 23.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -29.4 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -59.6 -63.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.969 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.773 0.32 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.28 -46.27 33.97 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.25 82.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.3 73.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.775 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -66.98 -55.32 15.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.825 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.26 -39.83 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.13 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.668 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.26 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.394 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.3 mt -58.48 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -60.67 -42.85 97.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.54 179.54 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -60.66 -42.71 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.59 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -57.4 12.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.09 -31.69 71.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.077 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 15.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.698 0.285 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 77.4 Cg_exo -50.64 -46.89 27.46 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.564 2.176 . . . . 0.0 112.315 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.65 79.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -36.76 83.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -60.83 -50.85 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.777 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.736 ' HA ' HD12 ' A' ' 10' ' ' LEU . 5.4 tt0 -60.28 -37.09 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.52 -55.44 33.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.526 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -31.16 71.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 7' ' ' GLN . 6.2 mt -60.27 -57.29 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -59.78 -47.25 86.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.679 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -37.26 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.483 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -60.33 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -63.05 -31.5 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.523 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.24 -65.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.8 -28.45 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 10.9 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.69 0.281 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 75.2 Cg_exo -49.99 -41.84 47.06 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.608 2.205 . . . . 0.0 112.39 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.73 91.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -51.19 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.629 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -57.47 -58.32 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.816 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -54.73 -37.36 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.726 179.795 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.47 -43.51 93.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.6 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -66.56 -36.28 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.392 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 7' ' ' GLN . 65.9 mt -60.59 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.741 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -64.2 -50.54 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -62.75 -37.83 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.2 ttm -59.49 -61.47 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -33.22 75.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.631 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.97 -65.95 0.58 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.891 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -58.61 -29.08 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.189 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.839 0.352 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.5 152.19 39.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.5 -37.17 25.6 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.627 2.218 . . . . 0.0 112.418 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.42 87.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -65.26 -47.32 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.638 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.3 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.821 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.62 39.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.28 95.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.81 -41.95 97.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.449 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.86 -38.41 85.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -67.23 -46.72 72.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -68.37 -47.43 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ttm -56.0 -59.32 5.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -30.78 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.582 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -57.53 -64.29 0.94 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.949 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -64.48 -32.32 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -59.14 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.91 79.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -61.49 -52.47 64.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.5 151.1 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -135.7 141.05 44.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.74 70.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p -108.51 160.71 26.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.89 -44.66 43.61 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.584 2.189 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.25 -47.12 86.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.777 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.76 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.892 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.9 mm-40 -60.25 -34.4 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.95 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -63.19 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.892 HD12 ' HA ' ' A' ' 7' ' ' GLN . 52.4 mt -62.7 -47.27 84.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.617 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -67.13 -48.07 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.907 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -63.91 -45.35 89.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.75 -65.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.937 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.51 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.642 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.05 -58.11 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.12 93.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -62.29 -55.04 32.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.42 159.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.99 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -77.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.23 135.58 57.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.911 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.773 0.321 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 16.4 p -80.96 161.78 62.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 69.4 Cg_exo -51.21 -45.45 36.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.551 2.167 . . . . 0.0 112.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.51 -47.87 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.58 -50.32 74.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -38.71 53.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.58 82.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.07 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.12 -42.85 99.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -66.99 -50.1 63.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.28 -43.64 97.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ttm -57.88 -58.91 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -29.98 71.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.77 -64.1 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.96 -31.76 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.54 -54.45 39.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.004 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.92 91.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -30.84 70.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.08 -166.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 60.93 26.4 16.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.11 158.03 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.868 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.88 0.372 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 33.1 p -86.73 160.71 49.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 70.0 Cg_exo -51.02 -47.14 27.06 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.558 2.172 . . . . 0.0 112.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.88 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.014 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -60.33 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.843 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -58.4 -40.46 82.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.21 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -70.9 -32.75 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.486 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 7' ' ' GLN . 79.0 mt -61.67 -55.97 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.717 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -63.34 -46.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.831 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -62.27 -41.6 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.84 -58.13 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -30.37 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -60.07 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.97 -31.37 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -58.97 6.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.958 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.56 -32.74 74.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.22 -12.33 61.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.252 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 62.86 145.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -72.61 75.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -77.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.899 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.841 0.353 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 p -100.06 161.19 25.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.04 -44.96 41.99 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.598 2.199 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.5 85.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.43 -48.12 83.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.72 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -41.21 63.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.71 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.708 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -39.89 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.534 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.09 -51.91 66.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.97 -47.83 83.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -63.55 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -57.68 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -64.5 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.53 -61.37 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.52 -30.84 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -59.07 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.39 87.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -60.0 -31.34 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.26 82.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -96.58 -41.27 8.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.69 117.65 7.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.884 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 14.7 p -102.2 162.0 21.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 71.5 Cg_exo -50.88 -41.11 56.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.571 2.181 . . . . 0.0 112.285 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.03 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -46.07 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.732 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -50.76 -39.7 52.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.8 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.485 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -63.92 -41.85 97.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.458 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.8 -46.68 89.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -58.67 -48.34 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 179.532 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.371 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.7 ttp -58.17 -55.97 28.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.396 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -35.59 81.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.272 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -59.83 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.67 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.46 -28.42 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.483 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -53.26 60.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.98 75.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.956 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -55.03 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.759 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 54.85 99.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -106.23 65.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.07 176.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.057 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.92 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.806 0.336 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.34 150.75 38.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.01 -37.62 30.24 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -61.88 -42.7 99.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.997 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -47.36 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -53.61 56.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.734 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . -59.49 -65.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -28.9 65.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.463 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.7 mt -60.04 -55.95 27.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.42 -46.97 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.24 -44.33 88.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttm -58.11 -50.86 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.435 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -31.3 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.425 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.27 -59.7 4.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 21' ' ' GLN . 21.7 t80 -60.84 -29.2 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.673 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.93 -61.81 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.03 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -35.34 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.84 109.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -145.03 41.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.46 146.29 35.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.923 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.843 0.354 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 48.3 p -86.46 160.44 50.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 76.6 Cg_exo -50.01 -46.06 29.87 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.156 . . . . 0.0 112.328 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.74 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.024 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.37 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -57.8 10.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -41.34 60.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -37.04 79.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.557 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.91 86.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.473 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.37 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.75 -47.64 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.931 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -63.5 -43.37 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -57.64 -59.25 5.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.68 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -61.85 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.95 -31.66 71.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.4 -52.2 66.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.81 -31.02 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -63.45 -55.59 23.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -60.6 162.24 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -62.12 132.41 52.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.08 165.17 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.895 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 5' ' ' GLN . 1.4 t -98.97 150.1 36.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.52 -37.19 25.83 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.585 2.19 . . . . 0.0 112.344 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.03 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 2' ' ' THR . 10.4 tt0 -63.67 -45.7 88.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -57.38 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -50.82 -40.51 55.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.38 92.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.325 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -40.03 95.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.317 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.56 -42.29 99.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.472 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.94 -48.52 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.74 179.719 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -70.49 -36.0 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.526 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -56.77 -55.29 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.552 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -30.75 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.495 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.92 3.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.5 -32.3 72.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.507 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.96 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.856 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.93 95.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -61.35 -31.51 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.25 75.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -157.51 59.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 130.08 44.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.921 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.826 0.346 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 66.1 p -74.94 160.61 80.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 69.9 Cg_exo -50.99 -48.39 21.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.51 2.14 . . . . 0.0 112.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.51 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.29 -45.93 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.593 ' HE ' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -58.09 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.718 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -61.01 -35.53 77.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.695 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -61.48 -29.29 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.2 mt -61.06 -50.39 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.64 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -67.59 -46.39 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tpt85 -63.4 -47.89 80.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -56.87 -56.69 18.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -30.04 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.524 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.95 -64.8 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.025 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -64.61 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.61 -71.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.17 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -60.62 -38.5 84.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -100.26 152.53 20.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.53 -68.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.25 70.79 0.59 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.919 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.794 0.33 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 11.0 p -85.97 163.29 43.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 73.8 Cg_exo -49.66 -47.27 23.6 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.615 2.21 . . . . 0.0 112.467 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.3 80.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.26 -43.16 92.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -62.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.806 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -44.58 69.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.71 70.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -41.06 74.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.566 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 10' ' ' LEU . 3.8 mt -62.13 -41.56 98.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -67.16 -49.34 65.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -45.69 84.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 ttp -56.57 -56.36 22.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -29.97 70.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.35 -59.43 5.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.16 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.16 -59.92 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.33 80.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -59.94 -44.38 94.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.68 111.44 23.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.02 124.79 15.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.99 70.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.85 0.357 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 5' ' ' GLN . 0.6 OUTLIER -112.95 151.68 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.38 -49.76 15.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.568 2.179 . . . . 0.0 112.475 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.94 75.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB2' HG23 ' A' ' 2' ' ' THR . 1.0 OUTLIER -63.75 -50.86 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.65 -54.47 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.861 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.9 mm-40 -60.91 -35.01 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.738 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.6 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.739 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -32.93 72.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 7' ' ' GLN . 26.2 mt -59.92 -51.29 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.638 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -63.82 -43.58 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.783 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.33 -46.93 88.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.786 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -56.32 23.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -29.4 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -59.6 -63.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.969 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -70.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.75 -38.62 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -60.66 -47.87 84.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.66 130.44 27.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.98 92.72 4.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.51 -32.59 71.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.0 p -98.39 158.93 31.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.28 -46.27 33.97 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.25 82.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.3 73.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.775 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -66.98 -55.32 15.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.825 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.26 -39.83 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.13 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.668 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.26 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.394 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.3 mt -58.48 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -60.67 -42.85 97.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.54 179.54 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -60.66 -42.71 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.59 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -57.4 12.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.09 -31.69 71.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -57.65 10.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.63 97.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -65.97 -59.53 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 55.65 98.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -96.24 83.61 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.67 29.71 2.24 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.453 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.917 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.786 0.327 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 15.2 p -97.0 162.1 24.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 77.4 Cg_exo -50.64 -46.89 27.46 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.564 2.176 . . . . 0.0 112.315 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.65 79.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -36.76 83.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -60.83 -50.85 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.777 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.736 ' HA ' HD12 ' A' ' 10' ' ' LEU . 5.4 tt0 -60.28 -37.09 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.52 -55.44 33.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.526 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -31.16 71.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 7' ' ' GLN . 6.2 mt -60.27 -57.29 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -59.78 -47.25 86.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.679 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -37.26 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.483 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -60.33 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -63.05 -31.5 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.523 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.24 -65.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.8 -28.45 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.43 -67.31 0.29 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.8 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -16.23 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -51.44 144.96 9.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.842 0.353 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 61.99 54.71 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.73 64.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.933 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.904 0.383 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 10.9 p -73.97 162.82 72.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.805 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 75.2 Cg_exo -49.99 -41.84 47.06 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.608 2.205 . . . . 0.0 112.39 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.73 91.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -51.19 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.629 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -57.47 -58.32 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.816 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -54.73 -37.36 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.726 179.795 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.47 -43.51 93.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.6 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -66.56 -36.28 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.392 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 7' ' ' GLN . 65.9 mt -60.59 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.741 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -64.2 -50.54 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -62.75 -37.83 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.2 ttm -59.49 -61.47 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -33.22 75.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.631 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.97 -65.95 0.58 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.891 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 44.3 t80 -58.61 -29.08 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -60.64 3.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.189 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.25 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.243 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -29.25 65.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 17.1 mmt180 -96.44 39.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -166.09 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.84 77.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.91 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.671 0.272 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.5 -37.17 25.6 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.627 2.218 . . . . 0.0 112.418 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.42 87.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -65.26 -47.32 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.638 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.3 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.821 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.62 39.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.28 95.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.81 -41.95 97.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.449 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.86 -38.41 85.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -67.23 -46.72 72.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -68.37 -47.43 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ttm -56.0 -59.32 5.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -30.78 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.582 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -57.53 -64.29 0.94 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.949 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -64.48 -32.32 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.02 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.735 0.303 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.89 -44.66 43.61 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.584 2.189 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.25 -47.12 86.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.777 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.76 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.892 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.9 mm-40 -60.25 -34.4 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.95 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -63.19 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.892 HD12 ' HA ' ' A' ' 7' ' ' GLN . 52.4 mt -62.7 -47.27 84.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.617 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -67.13 -48.07 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.907 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -63.91 -45.35 89.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.75 -65.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.937 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.51 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.642 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.09 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 16.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.656 0.265 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 69.4 Cg_exo -51.21 -45.45 36.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.551 2.167 . . . . 0.0 112.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.51 -47.87 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.58 -50.32 74.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -38.71 53.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.58 82.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.07 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.12 -42.85 99.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -66.99 -50.1 63.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.28 -43.64 97.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ttm -57.88 -58.91 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -29.98 71.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.77 -64.1 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.96 -31.76 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.004 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 33.1 p . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.725 0.298 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 70.0 Cg_exo -51.02 -47.14 27.06 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.558 2.172 . . . . 0.0 112.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.88 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.014 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -60.33 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.843 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -58.4 -40.46 82.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.21 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -70.9 -32.75 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.486 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 7' ' ' GLN . 79.0 mt -61.67 -55.97 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.717 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -63.34 -46.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.831 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -62.27 -41.6 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.84 -58.13 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -30.37 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -60.07 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.97 -31.37 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.958 179.766 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.722 0.296 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.04 -44.96 41.99 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.598 2.199 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.5 85.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.43 -48.12 83.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.72 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -41.21 63.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.71 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.708 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -39.89 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.534 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.09 -51.91 66.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.97 -47.83 83.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -63.55 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -57.68 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -64.5 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.53 -61.37 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.52 -30.84 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.838 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 14.7 p . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.7 0.286 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 71.5 Cg_exo -50.88 -41.11 56.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.571 2.181 . . . . 0.0 112.285 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.03 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -46.07 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.732 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -50.76 -39.7 52.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.8 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.485 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -63.92 -41.85 97.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.458 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.8 -46.68 89.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -58.67 -48.34 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 179.532 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.371 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.7 ttp -58.17 -55.97 28.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.396 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -35.59 81.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.272 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -59.83 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.67 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.46 -28.42 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.483 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.78 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.681 0.277 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.01 -37.62 30.24 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -61.88 -42.7 99.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.997 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -47.36 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -53.61 56.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.734 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . -59.49 -65.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -28.9 65.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.463 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.7 mt -60.04 -55.95 27.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.42 -46.97 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.24 -44.33 88.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttm -58.11 -50.86 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.435 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -31.3 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.425 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.27 -59.7 4.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -60.84 -29.2 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.673 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 48.3 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.709 0.29 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 76.6 Cg_exo -50.01 -46.06 29.87 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.156 . . . . 0.0 112.328 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.74 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.024 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.37 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -57.8 10.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -41.34 60.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -37.04 79.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.557 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.91 86.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.473 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.37 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.75 -47.64 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.931 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -63.5 -43.37 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -57.64 -59.25 5.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.68 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -61.85 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.95 -31.66 71.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.792 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 5' ' ' GLN . 1.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.697 0.284 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.52 -37.19 25.83 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.585 2.19 . . . . 0.0 112.344 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.03 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 2' ' ' THR . 10.4 tt0 -63.67 -45.7 88.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -57.38 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -50.82 -40.51 55.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.38 92.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.325 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -40.03 95.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.317 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.56 -42.29 99.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.472 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.94 -48.52 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.74 179.719 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -70.49 -36.0 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.526 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -56.77 -55.29 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.552 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -30.75 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.495 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.92 3.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.5 -32.3 72.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.507 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.856 179.785 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 66.1 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.691 0.282 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 69.9 Cg_exo -50.99 -48.39 21.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.51 2.14 . . . . 0.0 112.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.51 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.29 -45.93 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.593 ' HE ' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -58.09 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.718 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -61.01 -35.53 77.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.695 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -61.48 -29.29 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.2 mt -61.06 -50.39 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.64 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -67.59 -46.39 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tpt85 -63.4 -47.89 80.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -56.87 -56.69 18.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -30.04 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.524 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.95 -64.8 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.025 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -64.61 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 11.0 p . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.669 0.271 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 73.8 Cg_exo -49.66 -47.27 23.6 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.615 2.21 . . . . 0.0 112.467 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.3 80.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.26 -43.16 92.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -62.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.806 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -44.58 69.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.71 70.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -41.06 74.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.566 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 10' ' ' LEU . 3.8 mt -62.13 -41.56 98.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -67.16 -49.34 65.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -45.69 84.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 ttp -56.57 -56.36 22.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -29.97 70.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.35 -59.43 5.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.16 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 5' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.71 0.29 . . . . 0.0 110.838 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.38 -49.76 15.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.568 2.179 . . . . 0.0 112.475 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.94 75.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB2' HG23 ' A' ' 2' ' ' THR . 1.0 OUTLIER -63.75 -50.86 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.65 -54.47 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.861 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.9 mm-40 -60.91 -35.01 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.738 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.6 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.739 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -32.93 72.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 7' ' ' GLN . 26.2 mt -59.92 -51.29 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.638 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -63.82 -43.58 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.783 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.33 -46.93 88.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.786 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -56.32 23.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -29.4 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -59.6 -63.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.969 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.773 0.32 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.28 -46.27 33.97 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.25 82.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.3 73.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.775 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -66.98 -55.32 15.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.825 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.26 -39.83 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.13 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.668 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.26 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.394 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.3 mt -58.48 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -60.67 -42.85 97.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.54 179.54 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -60.66 -42.71 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.59 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -57.4 12.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.09 -31.69 71.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.077 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 15.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.698 0.285 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 77.4 Cg_exo -50.64 -46.89 27.46 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.564 2.176 . . . . 0.0 112.315 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.65 79.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -36.76 83.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -60.83 -50.85 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.777 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.736 ' HA ' HD12 ' A' ' 10' ' ' LEU . 5.4 tt0 -60.28 -37.09 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.52 -55.44 33.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.526 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -31.16 71.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 7' ' ' GLN . 6.2 mt -60.27 -57.29 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -59.78 -47.25 86.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.679 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -37.26 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.483 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -60.33 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -63.05 -31.5 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.523 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.24 -65.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.8 -28.45 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 10.9 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.69 0.281 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 75.2 Cg_exo -49.99 -41.84 47.06 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.608 2.205 . . . . 0.0 112.39 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.73 91.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -51.19 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.629 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -57.47 -58.32 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.816 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -54.73 -37.36 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.726 179.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.47 -43.51 93.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.6 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -66.56 -36.28 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.392 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 7' ' ' GLN . 65.9 mt -60.59 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.741 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -64.2 -50.54 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -62.75 -37.83 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.2 ttm -59.49 -61.47 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -33.22 75.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.631 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.97 -65.95 0.58 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.891 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -58.61 -29.08 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.189 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.839 0.352 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.5 152.19 39.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.5 -37.17 25.6 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.627 2.218 . . . . 0.0 112.418 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.42 87.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -65.26 -47.32 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.638 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.3 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.821 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.62 39.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.28 95.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.81 -41.95 97.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.449 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.86 -38.41 85.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -67.23 -46.72 72.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -68.37 -47.43 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ttm -56.0 -59.32 5.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -30.78 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.582 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -57.53 -64.29 0.94 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.949 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -64.48 -32.32 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -59.14 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.91 79.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -61.49 -52.47 64.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.5 151.1 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -135.7 141.05 44.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.74 70.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p -108.51 160.71 26.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.89 -44.66 43.61 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.584 2.189 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.25 -47.12 86.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.777 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.76 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.892 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.9 mm-40 -60.25 -34.4 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.95 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -63.19 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.892 HD12 ' HA ' ' A' ' 7' ' ' GLN . 52.4 mt -62.7 -47.27 84.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.617 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -67.13 -48.07 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.907 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -63.91 -45.35 89.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.75 -65.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.937 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.51 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.642 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.05 -58.11 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.12 93.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -62.29 -55.04 32.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.42 159.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.99 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -77.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.23 135.58 57.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.911 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.773 0.321 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 16.4 p -80.96 161.78 62.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 69.4 Cg_exo -51.21 -45.45 36.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.551 2.167 . . . . 0.0 112.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.51 -47.87 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.58 -50.32 74.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -38.71 53.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.58 82.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.07 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.12 -42.85 99.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -66.99 -50.1 63.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -63.28 -43.64 97.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ttm -57.88 -58.91 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -29.98 71.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.77 -64.1 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.96 -31.76 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.54 -54.45 39.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.004 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.92 91.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -30.84 70.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.08 -166.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 60.93 26.4 16.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.11 158.03 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.868 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.88 0.372 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 33.1 p -86.73 160.71 49.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 70.0 Cg_exo -51.02 -47.14 27.06 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.558 2.172 . . . . 0.0 112.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.88 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.014 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -60.33 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.843 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -58.4 -40.46 82.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.21 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -70.9 -32.75 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.486 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 7' ' ' GLN . 79.0 mt -61.67 -55.97 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.717 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -63.34 -46.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.831 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -62.27 -41.6 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.84 -58.13 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -30.37 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -60.07 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.97 -31.37 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -58.97 6.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.958 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.56 -32.74 74.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.22 -12.33 61.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.252 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 62.86 145.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -72.61 75.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -77.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.899 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.841 0.353 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 p -100.06 161.19 25.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.04 -44.96 41.99 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.598 2.199 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.5 85.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.43 -48.12 83.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.72 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -41.21 63.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.71 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.708 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -39.89 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.534 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.09 -51.91 66.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.97 -47.83 83.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -63.55 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -57.68 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -64.5 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.53 -61.37 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.52 -30.84 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -59.07 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.39 87.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -60.0 -31.34 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.26 82.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -96.58 -41.27 8.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.69 117.65 7.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.884 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 14.7 p -102.2 162.0 21.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 71.5 Cg_exo -50.88 -41.11 56.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.571 2.181 . . . . 0.0 112.285 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.03 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -46.07 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.732 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -50.76 -39.7 52.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.8 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.485 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -63.92 -41.85 97.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.458 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.8 -46.68 89.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -58.67 -48.34 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 179.532 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.371 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.7 ttp -58.17 -55.97 28.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.396 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -35.59 81.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.272 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -59.83 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.67 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.46 -28.42 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.483 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -53.26 60.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.98 75.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.956 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -55.03 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.759 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 54.85 99.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -106.23 65.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.07 176.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.057 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.92 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.806 0.336 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.34 150.75 38.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.01 -37.62 30.24 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -61.88 -42.7 99.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.997 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -47.36 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -53.61 56.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.734 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.66 -32.1 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . -59.49 -65.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -28.9 65.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.463 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.7 mt -60.04 -55.95 27.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.42 -46.97 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.24 -44.33 88.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttm -58.11 -50.86 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.435 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -31.3 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.425 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.27 -59.7 4.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 21' ' ' GLN . 21.7 t80 -60.84 -29.2 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.673 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.93 -61.81 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.03 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -35.34 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.84 109.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -145.03 41.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.46 146.29 35.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.923 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.843 0.354 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 48.3 p -86.46 160.44 50.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 76.6 Cg_exo -50.01 -46.06 29.87 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.156 . . . . 0.0 112.328 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.74 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.024 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.37 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -57.8 10.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -41.34 60.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -37.04 79.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.557 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.91 86.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.473 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.37 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.75 -47.64 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.931 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -63.5 -43.37 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.723 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -57.64 -59.25 5.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.68 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -61.85 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.95 -31.66 71.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.4 -52.2 66.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.81 -31.02 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -63.45 -55.59 23.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -60.6 162.24 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -62.12 132.41 52.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.08 165.17 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.895 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 5' ' ' GLN . 1.4 t -98.97 150.1 36.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.52 -37.19 25.83 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.585 2.19 . . . . 0.0 112.344 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.03 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 2' ' ' THR . 10.4 tt0 -63.67 -45.7 88.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -57.38 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -50.82 -40.51 55.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.38 92.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.325 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -40.03 95.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.317 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.56 -42.29 99.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.472 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.94 -48.52 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.74 179.719 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -70.49 -36.0 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.526 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -56.77 -55.29 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.552 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -30.75 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.495 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.92 3.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.5 -32.3 72.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.507 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.96 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.856 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.93 95.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -61.35 -31.51 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.25 75.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -157.51 59.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 130.08 44.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.921 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.826 0.346 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 66.1 p -74.94 160.61 80.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 69.9 Cg_exo -50.99 -48.39 21.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.51 2.14 . . . . 0.0 112.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.51 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.29 -45.93 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.593 ' HE ' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -58.09 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.718 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -61.01 -35.53 77.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.695 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -61.48 -29.29 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.2 mt -61.06 -50.39 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.64 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -67.59 -46.39 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tpt85 -63.4 -47.89 80.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -56.87 -56.69 18.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -30.04 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.524 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.95 -64.8 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.025 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -64.61 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.61 -71.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.17 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -60.62 -38.5 84.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -100.26 152.53 20.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.53 -68.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.25 70.79 0.59 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.919 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.794 0.33 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 11.0 p -85.97 163.29 43.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 73.8 Cg_exo -49.66 -47.27 23.6 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.615 2.21 . . . . 0.0 112.467 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.3 80.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.26 -43.16 92.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -62.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.806 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -44.58 69.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.71 70.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -41.06 74.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.566 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 10' ' ' LEU . 3.8 mt -62.13 -41.56 98.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -67.16 -49.34 65.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -45.69 84.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 ttp -56.57 -56.36 22.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -29.97 70.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.35 -59.43 5.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.16 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.16 -59.92 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.33 80.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -59.94 -44.38 94.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.68 111.44 23.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.02 124.79 15.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.99 70.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.85 0.357 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 5' ' ' GLN . 0.6 OUTLIER -112.95 151.68 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.38 -49.76 15.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.568 2.179 . . . . 0.0 112.475 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.94 75.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB2' HG23 ' A' ' 2' ' ' THR . 1.0 OUTLIER -63.75 -50.86 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.65 -54.47 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.861 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.9 mm-40 -60.91 -35.01 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.738 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.6 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.739 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -32.93 72.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 7' ' ' GLN . 26.2 mt -59.92 -51.29 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.638 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -63.82 -43.58 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.783 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -61.33 -46.93 88.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.786 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -56.32 23.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -29.4 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -59.6 -63.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.969 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -70.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.75 -38.62 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -60.66 -47.87 84.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.66 130.44 27.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.98 92.72 4.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.51 -32.59 71.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.0 p -98.39 158.93 31.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.28 -46.27 33.97 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.25 82.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.3 73.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.775 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -66.98 -55.32 15.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.825 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.26 -39.83 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.13 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.668 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.26 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.394 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.3 mt -58.48 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -60.67 -42.85 97.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.54 179.54 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -60.66 -42.71 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.59 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -57.4 12.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.09 -31.69 71.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -57.65 10.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.63 97.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -65.97 -59.53 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 55.65 98.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -96.24 83.61 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.67 29.71 2.24 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.453 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.917 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.786 0.327 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 15.2 p -97.0 162.1 24.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 77.4 Cg_exo -50.64 -46.89 27.46 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.564 2.176 . . . . 0.0 112.315 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.65 79.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -36.76 83.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -60.83 -50.85 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.777 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.736 ' HA ' HD12 ' A' ' 10' ' ' LEU . 5.4 tt0 -60.28 -37.09 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.52 -55.44 33.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.526 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -31.16 71.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 7' ' ' GLN . 6.2 mt -60.27 -57.29 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -59.78 -47.25 86.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.679 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -37.26 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.483 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -60.33 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -63.05 -31.5 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.523 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.24 -65.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.8 -28.45 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.43 -67.31 0.29 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.8 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -16.23 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -51.44 144.96 9.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.842 0.353 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 61.99 54.71 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.73 64.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.933 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.904 0.383 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 10.9 p -73.97 162.82 72.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.805 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 75.2 Cg_exo -49.99 -41.84 47.06 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.608 2.205 . . . . 0.0 112.39 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.73 91.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -51.19 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.629 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -57.47 -58.32 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.816 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -54.73 -37.36 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.726 179.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.47 -43.51 93.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.6 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -66.56 -36.28 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.392 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 7' ' ' GLN . 65.9 mt -60.59 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.741 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -64.2 -50.54 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -62.75 -37.83 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.2 ttm -59.49 -61.47 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -33.22 75.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.631 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -58.97 -65.95 0.58 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.891 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 20' ' ' ARG . 44.3 t80 -58.61 -29.08 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -60.64 3.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.189 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.25 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.243 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -29.25 65.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 17.1 mmt180 -96.44 39.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -166.09 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.84 77.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.91 -179.969 . . . . . . . . 0 0 . 1 stop_ save_