data_1eq8_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 1eq8 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.206 0.527 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -58.13 7.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.437 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.83 -21.19 66.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.133 -0.979 . . . . 0.0 109.479 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -73.9 -36.77 64.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.353 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.66 -18.41 48.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.209 -0.932 . . . . 0.0 108.872 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.78 -30.89 28.57 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.324 37.3 pt -75.16 -39.95 43.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.2 t -67.82 -36.69 80.82 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -59.94 -46.02 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.0 -55.58 16.69 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.273 -0.892 . . . . 0.0 109.166 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.31 -31.89 66.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.125 -0.985 . . . . 0.0 108.926 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -57.12 12.75 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.274 -0.891 . . . . 0.0 108.881 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -59.16 -31.72 69.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.332 -0.855 . . . . 0.0 108.964 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.53 76.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.336 -0.853 . . . . 0.0 108.986 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.7 t -78.35 -32.68 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.294 -0.879 . . . . 0.0 108.887 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -57.86 -59.91 4.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.345 -0.847 . . . . 0.0 108.934 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -52.74 -21.81 4.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.259 -0.901 . . . . 0.0 108.839 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.258 0.1 OUTLIER -66.52 -54.77 20.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.324 179.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.49 -25.61 68.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.32 -0.862 . . . . 0.0 109.067 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.9 m -63.18 -49.34 74.67 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.236 -0.915 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.618 ' HG ' ' HD2' ' B' ' 23' ' ' ARG . 57.4 p -68.13 -47.86 66.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.164 -0.96 . . . . 0.0 109.144 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.502 ' OE1' ' O ' ' B' ' 22' ' ' GLN . 11.3 mm100 -71.52 -5.16 31.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.402 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.624 ' HD2' ' HG ' ' E' ' 21' ' ' SER 0.28 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.564 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.308 0.575 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.21 -58.21 7.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.129 -0.982 . . . . 0.0 109.395 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.84 -21.17 66.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.943 . . . . 0.0 109.53 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.3 t -73.84 -36.7 64.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.275 -0.891 . . . . 0.0 109.422 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.72 -18.53 47.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.302 -0.874 . . . . 0.0 108.772 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.68 -30.92 28.91 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . 0.322 37.3 pt -75.2 -39.89 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -67.94 -36.56 80.33 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.06 -45.96 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 mt -50.99 -55.56 16.74 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.306 -0.871 . . . . 0.0 109.219 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.27 -31.93 66.09 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.173 -0.955 . . . . 0.0 108.949 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.64 -57.17 12.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.262 -0.899 . . . . 0.0 108.885 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -59.16 -31.77 69.28 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.271 -0.893 . . . . 0.0 108.948 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.49 -36.68 76.5 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.249 -0.907 . . . . 0.0 108.893 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 53.5 t -78.33 -32.51 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.313 -0.867 . . . . 0.0 108.86 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -58.0 -59.85 4.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.416 -0.802 . . . . 0.0 108.911 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.74 -21.85 4.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.0 108.821 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . 0.261 0.1 OUTLIER -66.46 -54.88 19.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.458 -0.776 . . . . 0.0 109.235 179.718 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.46 -25.55 68.06 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.245 -0.909 . . . . 0.0 109.119 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -63.16 -49.38 74.54 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.267 -0.896 . . . . 0.0 109.357 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.628 ' HG ' ' HD2' ' C' ' 23' ' ' ARG . 57.9 p -68.14 -47.88 66.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.26 -0.9 . . . . 0.0 109.166 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.502 ' O ' ' OE1' ' A' ' 22' ' ' GLN . 11.2 mm100 -71.47 -5.13 30.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.294 -0.879 . . . . 0.0 109.404 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.618 ' HD2' ' HG ' ' A' ' 21' ' ' SER 0.273 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.505 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.274 0.559 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -58.14 7.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 109.43 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.92 -21.11 66.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.102 -0.999 . . . . 0.0 109.483 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' SER . . . . . . . . . . . . . 15.0 t -73.87 -36.79 64.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.328 -0.858 . . . . 0.0 109.37 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p -80.72 -18.42 47.87 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.304 -0.873 . . . . 0.0 108.801 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.78 -30.85 28.59 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . 0.326 36.6 pt -75.16 -39.97 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -67.89 -36.66 80.61 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -59.96 -45.94 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 67.4 mt -51.06 -55.58 16.88 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.291 -0.881 . . . . 0.0 109.134 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -57.3 -31.94 66.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.168 -0.957 . . . . 0.0 108.895 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.57 -57.19 12.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.267 -0.895 . . . . 0.0 108.892 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -59.19 -31.77 69.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.358 -0.839 . . . . 0.0 108.899 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.54 76.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.863 . . . . 0.0 108.959 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . . . . . . . . . 64.0 t -78.46 -32.57 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.293 -0.879 . . . . 0.0 108.814 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -57.92 -59.8 4.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.354 -0.841 . . . . 0.0 108.972 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -52.78 -21.85 4.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 108.854 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -54.86 19.43 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.4 -0.813 . . . . 0.0 109.28 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.51 -25.6 68.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.208 -0.932 . . . . 0.0 109.059 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 26.6 m -63.14 -49.35 74.69 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.419 -0.801 . . . . 0.0 109.352 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' SER . . . . . 0.409 ' CB ' ' HG3' ' D' ' 23' ' ' ARG . 78.0 p -68.12 -47.89 66.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.921 . . . . 0.0 109.159 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . 0.518 ' OE1' ' O ' ' D' ' 22' ' ' GLN . 10.9 mm100 -71.5 -5.07 30.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.39 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.628 ' HD2' ' HG ' ' B' ' 21' ' ' SER 0.273 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 118.081 -0.962 . . . . 0.0 109.51 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.326 0.584 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -58.28 7.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.102 -0.999 . . . . 0.0 109.446 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.69 -21.2 66.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.19 -0.944 . . . . 0.0 109.559 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 15.5 t -73.9 -36.77 64.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.69 -18.4 48.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.295 -0.878 . . . . 0.0 108.872 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.73 -30.91 28.73 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . 0.324 37.5 pt -75.18 -39.95 43.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -67.92 -36.54 80.35 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.314 -0.866 . . . . 0.0 108.745 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -60.07 -45.86 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 67.1 mt -51.09 -55.62 16.76 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.28 -0.887 . . . . 0.0 109.127 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.26 -31.92 66.07 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.166 -0.959 . . . . 0.0 108.912 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -57.1 12.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 0.0 108.894 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -59.15 -31.76 69.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.335 -0.853 . . . . 0.0 108.97 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.57 76.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -0.87 . . . . 0.0 108.938 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' VAL . . . . . . . . . . . . . 62.6 t -78.34 -32.59 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.231 -0.918 . . . . 0.0 108.882 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.95 -59.84 4.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.377 -0.827 . . . . 0.0 108.942 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.68 -21.92 4.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.35 -0.843 . . . . 0.0 108.829 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . 0.267 0.1 OUTLIER -66.52 -54.75 20.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.397 -0.814 . . . . 0.0 109.253 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.52 -25.54 68.03 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.306 -0.871 . . . . 0.0 109.094 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' THR . . . . . . . . . . . . . 26.8 m -63.2 -49.33 74.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.313 -0.867 . . . . 0.0 109.327 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' SER . . . . . 0.607 ' HG ' ' CD ' ' E' ' 23' ' ' ARG . 92.0 p -68.13 -47.85 67.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.186 -0.946 . . . . 0.0 109.165 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . 0.518 ' O ' ' OE1' ' C' ' 22' ' ' GLN . 10.9 mm100 -71.51 -5.12 30.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 0.0 109.384 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ARG . . . . . 0.409 ' HG3' ' CB ' ' C' ' 21' ' ' SER 0.292 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.507 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.29 -58.18 7.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 0.0 109.368 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.84 -21.2 66.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.237 -0.914 . . . . 0.0 109.549 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 15.3 t -73.79 -36.81 65.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.0 109.395 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.65 -18.53 47.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 108.775 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.71 -30.92 28.8 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . 0.325 37.4 pt -75.09 -40.02 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 32.4 t -67.91 -36.58 80.43 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.276 -0.89 . . . . 0.0 108.709 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.01 -45.87 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.13 -55.62 16.84 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.291 -0.88 . . . . 0.0 109.114 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.27 -31.86 66.01 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.119 -0.988 . . . . 0.0 108.961 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.69 -57.13 12.68 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.273 -0.892 . . . . 0.0 108.884 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -59.21 -31.69 69.27 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.36 -0.837 . . . . 0.0 108.923 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.62 76.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.329 -0.857 . . . . 0.0 108.898 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' VAL . . . . . . . . . . . . . 60.0 t -78.36 -32.58 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.322 -0.861 . . . . 0.0 108.893 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -57.9 -59.83 4.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.41 -0.806 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -52.72 -21.96 4.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.245 -0.909 . . . . 0.0 108.827 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . 0.278 0.1 OUTLIER -66.37 -54.84 19.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.287 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pp -64.46 -25.68 68.11 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.314 -0.867 . . . . 0.0 109.085 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' THR . . . . . . . . . . . . . 26.9 m -63.14 -49.39 74.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.282 -0.886 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' SER . . . . . 0.624 ' HG ' ' HD2' ' A' ' 23' ' ' ARG . 59.1 p -68.06 -47.94 66.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.199 -0.938 . . . . 0.0 109.143 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . 0.48 ' O ' ' OE1' ' D' ' 22' ' ' GLN . 10.9 mm100 -71.46 -5.15 30.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.863 . . . . 0.0 109.369 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ARG . . . . . 0.607 ' CD ' ' HG ' ' D' ' 21' ' ' SER . 7.5 ptt85 . . . . . 1 C--O 1.379 7.902 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.492 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' ' OH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.206 0.527 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -58.13 7.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.437 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.83 -21.19 66.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.133 -0.979 . . . . 0.0 109.479 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -73.9 -36.77 64.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.353 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.66 -18.41 48.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.209 -0.932 . . . . 0.0 108.872 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.78 -30.89 28.57 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.324 37.3 pt -75.16 -39.95 43.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.2 t -67.82 -36.69 80.82 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -59.94 -46.02 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.0 -55.58 16.69 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.273 -0.892 . . . . 0.0 109.166 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.31 -31.89 66.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.125 -0.985 . . . . 0.0 108.926 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -57.12 12.75 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.274 -0.891 . . . . 0.0 108.881 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -59.16 -31.72 69.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.332 -0.855 . . . . 0.0 108.964 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.53 76.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.336 -0.853 . . . . 0.0 108.986 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 18' ' ' LEU . 53.7 t -78.35 -32.68 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.294 -0.879 . . . . 0.0 108.887 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -57.86 -59.91 4.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.345 -0.847 . . . . 0.0 108.934 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -52.74 -21.81 4.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.259 -0.901 . . . . 0.0 108.839 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HB2' HD22 ' B' ' 19' ' ' LEU 0.258 0.1 OUTLIER -66.52 -54.77 20.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.324 179.661 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' E' ' 18' ' ' LEU . 2.3 pp -64.49 -25.61 68.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.32 -0.862 . . . . 0.0 109.067 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.9 m -63.18 -49.34 74.67 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.236 -0.915 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.443 ' HB2' ' HG3' ' B' ' 23' ' ' ARG . 57.4 p -68.13 -47.86 66.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.164 -0.96 . . . . 0.0 109.144 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' ' 22' ' ' GLN . 11.3 mm100 -71.52 -5.16 31.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.402 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 19' ' ' LEU 0.28 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.564 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.308 0.575 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.21 -58.21 7.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.129 -0.982 . . . . 0.0 109.395 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.84 -21.17 66.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.943 . . . . 0.0 109.53 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.3 t -73.84 -36.7 64.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.275 -0.891 . . . . 0.0 109.422 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.72 -18.53 47.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.302 -0.874 . . . . 0.0 108.772 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.68 -30.92 28.91 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . 0.322 37.3 pt -75.2 -39.89 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -67.94 -36.56 80.33 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.06 -45.96 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 mt -50.99 -55.56 16.74 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.306 -0.871 . . . . 0.0 109.219 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.27 -31.93 66.09 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.173 -0.955 . . . . 0.0 108.949 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.64 -57.17 12.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.262 -0.899 . . . . 0.0 108.885 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -59.16 -31.77 69.28 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.271 -0.893 . . . . 0.0 108.948 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.49 -36.68 76.5 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.249 -0.907 . . . . 0.0 108.893 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' B' ' 18' ' ' LEU . 53.5 t -78.33 -32.51 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.313 -0.867 . . . . 0.0 108.86 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -58.0 -59.85 4.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.416 -0.802 . . . . 0.0 108.911 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.74 -21.85 4.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.0 108.821 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.455 ' HB2' HD22 ' C' ' 19' ' ' LEU 0.261 0.1 OUTLIER -66.46 -54.88 19.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.458 -0.776 . . . . 0.0 109.235 179.718 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 18' ' ' LEU . 2.3 pp -64.46 -25.55 68.06 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.245 -0.909 . . . . 0.0 109.119 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -63.16 -49.38 74.54 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.267 -0.896 . . . . 0.0 109.357 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.454 ' HB2' ' HG3' ' C' ' 23' ' ' ARG . 57.9 p -68.14 -47.88 66.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.26 -0.9 . . . . 0.0 109.166 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.531 ' HA ' ' OE1' ' B' ' 22' ' ' GLN . 11.2 mm100 -71.47 -5.13 30.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.294 -0.879 . . . . 0.0 109.404 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.443 ' HG3' ' HB2' ' A' ' 21' ' ' SER 0.273 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.505 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.274 0.559 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -58.14 7.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 109.43 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.92 -21.11 66.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.102 -0.999 . . . . 0.0 109.483 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' SER . . . . . . . . . . . . . 15.0 t -73.87 -36.79 64.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.328 -0.858 . . . . 0.0 109.37 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p -80.72 -18.42 47.87 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.304 -0.873 . . . . 0.0 108.801 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.78 -30.85 28.59 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . 0.326 36.6 pt -75.16 -39.97 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -67.89 -36.66 80.61 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -59.96 -45.94 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 67.4 mt -51.06 -55.58 16.88 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.291 -0.881 . . . . 0.0 109.134 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -57.3 -31.94 66.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.168 -0.957 . . . . 0.0 108.895 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.57 -57.19 12.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.267 -0.895 . . . . 0.0 108.892 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -59.19 -31.77 69.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.358 -0.839 . . . . 0.0 108.899 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.54 76.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.863 . . . . 0.0 108.959 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' C' ' 18' ' ' LEU . 64.0 t -78.46 -32.57 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.293 -0.879 . . . . 0.0 108.814 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -57.92 -59.8 4.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.354 -0.841 . . . . 0.0 108.972 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -52.78 -21.85 4.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 108.854 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.473 ' HB2' HD22 ' D' ' 19' ' ' LEU . 0.1 OUTLIER -66.42 -54.86 19.43 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.4 -0.813 . . . . 0.0 109.28 179.694 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' B' ' 18' ' ' LEU . 2.3 pp -64.51 -25.6 68.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.208 -0.932 . . . . 0.0 109.059 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 26.6 m -63.14 -49.35 74.69 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.419 -0.801 . . . . 0.0 109.352 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' D' ' 23' ' ' ARG . 78.0 p -68.12 -47.89 66.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.921 . . . . 0.0 109.159 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.555 ' HA ' ' OE1' ' C' ' 22' ' ' GLN . 10.9 mm100 -71.5 -5.07 30.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.39 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.454 ' HG3' ' HB2' ' B' ' 21' ' ' SER 0.273 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 118.081 -0.962 . . . . 0.0 109.51 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 1' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.326 0.584 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -58.28 7.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.102 -0.999 . . . . 0.0 109.446 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.69 -21.2 66.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.19 -0.944 . . . . 0.0 109.559 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 15.5 t -73.9 -36.77 64.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.69 -18.4 48.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.295 -0.878 . . . . 0.0 108.872 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.73 -30.91 28.73 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . 0.324 37.5 pt -75.18 -39.95 43.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -67.92 -36.54 80.35 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.314 -0.866 . . . . 0.0 108.745 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -60.07 -45.86 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 67.1 mt -51.09 -55.62 16.76 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.28 -0.887 . . . . 0.0 109.127 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.26 -31.92 66.07 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.166 -0.959 . . . . 0.0 108.912 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -57.1 12.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 0.0 108.894 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -59.15 -31.76 69.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.335 -0.853 . . . . 0.0 108.97 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.57 76.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -0.87 . . . . 0.0 108.938 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' D' ' 18' ' ' LEU . 62.6 t -78.34 -32.59 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.231 -0.918 . . . . 0.0 108.882 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.95 -59.84 4.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.377 -0.827 . . . . 0.0 108.942 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.68 -21.92 4.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.35 -0.843 . . . . 0.0 108.829 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.425 ' HB2' HD22 ' E' ' 19' ' ' LEU 0.267 0.1 OUTLIER -66.52 -54.75 20.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.397 -0.814 . . . . 0.0 109.253 179.788 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' D' D ' 19' ' ' LEU . . . . . 0.473 HD22 ' HB2' ' C' ' 18' ' ' LEU . 0.9 OUTLIER -64.52 -25.54 68.03 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.306 -0.871 . . . . 0.0 109.094 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 20' ' ' THR . . . . . . . . . . . . . 26.8 m -63.2 -49.33 74.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.313 -0.867 . . . . 0.0 109.327 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' SER . . . . . . . . . . . . . 92.0 p -68.13 -47.85 67.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.186 -0.946 . . . . 0.0 109.165 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLN . . . . . 0.518 ' O ' ' OE1' ' C' ' 22' ' ' GLN . 10.9 mm100 -71.51 -5.12 30.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 0.0 109.384 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ARG . . . . . 0.432 ' HG3' ' CB ' ' C' ' 21' ' ' SER 0.292 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.507 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.29 -58.18 7.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 0.0 109.368 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.84 -21.2 66.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.237 -0.914 . . . . 0.0 109.549 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 15.3 t -73.79 -36.81 65.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.0 109.395 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.65 -18.53 47.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 108.775 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.71 -30.92 28.8 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . 0.325 37.4 pt -75.09 -40.02 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 32.4 t -67.91 -36.58 80.43 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.276 -0.89 . . . . 0.0 108.709 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.01 -45.87 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.13 -55.62 16.84 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.291 -0.88 . . . . 0.0 109.114 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.27 -31.86 66.01 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.119 -0.988 . . . . 0.0 108.961 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.69 -57.13 12.68 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.273 -0.892 . . . . 0.0 108.884 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -59.21 -31.69 69.27 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.36 -0.837 . . . . 0.0 108.923 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.62 76.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.329 -0.857 . . . . 0.0 108.898 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' E' ' 18' ' ' LEU . 60.0 t -78.36 -32.58 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.322 -0.861 . . . . 0.0 108.893 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 16' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -57.9 -59.83 4.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.41 -0.806 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -52.72 -21.96 4.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.245 -0.909 . . . . 0.0 108.827 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' LEU . . . . . 0.42 ' HB2' HD22 ' A' ' 19' ' ' LEU 0.278 0.1 OUTLIER -66.37 -54.84 19.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.287 179.728 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' E' E ' 19' ' ' LEU . . . . . 0.425 HD22 ' HB2' ' D' ' 18' ' ' LEU . 2.0 pp -64.46 -25.68 68.11 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.314 -0.867 . . . . 0.0 109.085 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 20' ' ' THR . . . . . . . . . . . . . 26.9 m -63.14 -49.39 74.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.282 -0.886 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' SER . . . . . 0.413 ' HB2' ' HG3' ' A' ' 23' ' ' ARG . 59.1 p -68.06 -47.94 66.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.199 -0.938 . . . . 0.0 109.143 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLN . . . . . 0.48 ' O ' ' OE1' ' D' ' 22' ' ' GLN . 10.9 mm100 -71.46 -5.15 30.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.863 . . . . 0.0 109.369 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ptt85 . . . . . 1 C--O 1.379 7.902 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' ' OH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.206 0.527 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -58.13 7.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.437 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.83 -21.19 66.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.133 -0.979 . . . . 0.0 109.479 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -73.9 -36.77 64.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.353 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.66 -18.41 48.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.209 -0.932 . . . . 0.0 108.872 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.78 -30.89 28.57 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.324 37.3 pt -75.16 -39.95 43.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.2 t -67.82 -36.69 80.82 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -59.94 -46.02 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.0 -55.58 16.69 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.273 -0.892 . . . . 0.0 109.166 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.31 -31.89 66.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.125 -0.985 . . . . 0.0 108.926 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -57.12 12.75 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.274 -0.891 . . . . 0.0 108.881 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -59.16 -31.72 69.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.332 -0.855 . . . . 0.0 108.964 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.53 76.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.336 -0.853 . . . . 0.0 108.986 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 18' ' ' LEU . 53.7 t -78.35 -32.68 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.294 -0.879 . . . . 0.0 108.887 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -57.86 -59.91 4.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.345 -0.847 . . . . 0.0 108.934 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -52.74 -21.81 4.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.259 -0.901 . . . . 0.0 108.839 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HB2' HD22 ' B' ' 19' ' ' LEU 0.258 0.1 OUTLIER -66.52 -54.77 20.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.324 179.661 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' E' ' 18' ' ' LEU . 2.3 pp -64.49 -25.61 68.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.32 -0.862 . . . . 0.0 109.067 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.9 m -63.18 -49.34 74.67 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.236 -0.915 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.443 ' HB2' ' HG3' ' B' ' 23' ' ' ARG . 57.4 p -68.13 -47.86 66.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.164 -0.96 . . . . 0.0 109.144 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' ' 22' ' ' GLN . 11.3 mm100 -71.52 -5.16 31.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.402 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 19' ' ' LEU 0.28 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.564 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.308 0.575 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.21 -58.21 7.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.129 -0.982 . . . . 0.0 109.395 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.84 -21.17 66.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.943 . . . . 0.0 109.53 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.3 t -73.84 -36.7 64.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.275 -0.891 . . . . 0.0 109.422 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.72 -18.53 47.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.302 -0.874 . . . . 0.0 108.772 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.68 -30.92 28.91 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . 0.322 37.3 pt -75.2 -39.89 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -67.94 -36.56 80.33 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.06 -45.96 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 mt -50.99 -55.56 16.74 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.306 -0.871 . . . . 0.0 109.219 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.27 -31.93 66.09 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.173 -0.955 . . . . 0.0 108.949 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.64 -57.17 12.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.262 -0.899 . . . . 0.0 108.885 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -59.16 -31.77 69.28 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.271 -0.893 . . . . 0.0 108.948 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.49 -36.68 76.5 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.249 -0.907 . . . . 0.0 108.893 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' B' ' 18' ' ' LEU . 53.5 t -78.33 -32.51 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.313 -0.867 . . . . 0.0 108.86 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -58.0 -59.85 4.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.416 -0.802 . . . . 0.0 108.911 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.74 -21.85 4.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.0 108.821 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.455 ' HB2' HD22 ' C' ' 19' ' ' LEU 0.261 0.1 OUTLIER -66.46 -54.88 19.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.458 -0.776 . . . . 0.0 109.235 179.718 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 18' ' ' LEU . 2.3 pp -64.46 -25.55 68.06 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.245 -0.909 . . . . 0.0 109.119 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -63.16 -49.38 74.54 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.267 -0.896 . . . . 0.0 109.357 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.454 ' HB2' ' HG3' ' C' ' 23' ' ' ARG . 57.9 p -68.14 -47.88 66.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.26 -0.9 . . . . 0.0 109.166 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.531 ' HA ' ' OE1' ' B' ' 22' ' ' GLN . 11.2 mm100 -71.47 -5.13 30.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.294 -0.879 . . . . 0.0 109.404 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.443 ' HG3' ' HB2' ' A' ' 21' ' ' SER 0.273 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.505 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.274 0.559 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -58.14 7.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 109.43 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.92 -21.11 66.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.102 -0.999 . . . . 0.0 109.483 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' SER . . . . . . . . . . . . . 15.0 t -73.87 -36.79 64.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.328 -0.858 . . . . 0.0 109.37 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p -80.72 -18.42 47.87 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.304 -0.873 . . . . 0.0 108.801 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.78 -30.85 28.59 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . 0.326 36.6 pt -75.16 -39.97 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -67.89 -36.66 80.61 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -59.96 -45.94 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 67.4 mt -51.06 -55.58 16.88 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.291 -0.881 . . . . 0.0 109.134 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -57.3 -31.94 66.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.168 -0.957 . . . . 0.0 108.895 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.57 -57.19 12.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.267 -0.895 . . . . 0.0 108.892 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -59.19 -31.77 69.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.358 -0.839 . . . . 0.0 108.899 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.54 76.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.863 . . . . 0.0 108.959 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' C' ' 18' ' ' LEU . 64.0 t -78.46 -32.57 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.293 -0.879 . . . . 0.0 108.814 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -57.92 -59.8 4.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.354 -0.841 . . . . 0.0 108.972 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -52.78 -21.85 4.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 108.854 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.473 ' HB2' HD22 ' D' ' 19' ' ' LEU . 0.1 OUTLIER -66.42 -54.86 19.43 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.4 -0.813 . . . . 0.0 109.28 179.694 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' B' ' 18' ' ' LEU . 2.3 pp -64.51 -25.6 68.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.208 -0.932 . . . . 0.0 109.059 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 26.6 m -63.14 -49.35 74.69 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.419 -0.801 . . . . 0.0 109.352 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' D' ' 23' ' ' ARG . 78.0 p -68.12 -47.89 66.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.921 . . . . 0.0 109.159 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.555 ' HA ' ' OE1' ' C' ' 22' ' ' GLN . 10.9 mm100 -71.5 -5.07 30.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.39 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.454 ' HG3' ' HB2' ' B' ' 21' ' ' SER 0.273 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 118.081 -0.962 . . . . 0.0 109.51 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.326 0.584 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -58.28 7.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.102 -0.999 . . . . 0.0 109.446 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.69 -21.2 66.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.19 -0.944 . . . . 0.0 109.559 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 15.5 t -73.9 -36.77 64.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.69 -18.4 48.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.295 -0.878 . . . . 0.0 108.872 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.73 -30.91 28.73 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . 0.324 37.5 pt -75.18 -39.95 43.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -67.92 -36.54 80.35 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.314 -0.866 . . . . 0.0 108.745 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -60.07 -45.86 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 67.1 mt -51.09 -55.62 16.76 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.28 -0.887 . . . . 0.0 109.127 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.26 -31.92 66.07 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.166 -0.959 . . . . 0.0 108.912 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -57.1 12.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 0.0 108.894 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -59.15 -31.76 69.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.335 -0.853 . . . . 0.0 108.97 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.57 76.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -0.87 . . . . 0.0 108.938 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' D' ' 18' ' ' LEU . 62.6 t -78.34 -32.59 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.231 -0.918 . . . . 0.0 108.882 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.95 -59.84 4.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.377 -0.827 . . . . 0.0 108.942 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.68 -21.92 4.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.35 -0.843 . . . . 0.0 108.829 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.425 ' HB2' HD22 ' E' ' 19' ' ' LEU 0.267 0.1 OUTLIER -66.52 -54.75 20.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.397 -0.814 . . . . 0.0 109.253 179.788 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . 0.473 HD22 ' HB2' ' C' ' 18' ' ' LEU . 0.9 OUTLIER -64.52 -25.54 68.03 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.306 -0.871 . . . . 0.0 109.094 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' THR . . . . . . . . . . . . . 26.8 m -63.2 -49.33 74.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.313 -0.867 . . . . 0.0 109.327 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' SER . . . . . . . . . . . . . 92.0 p -68.13 -47.85 67.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.186 -0.946 . . . . 0.0 109.165 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . 0.518 ' O ' ' OE1' ' C' ' 22' ' ' GLN . 10.9 mm100 -71.51 -5.12 30.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 0.0 109.384 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ARG . . . . . 0.432 ' HG3' ' CB ' ' C' ' 21' ' ' SER 0.292 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.507 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.29 -58.18 7.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 0.0 109.368 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.84 -21.2 66.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.237 -0.914 . . . . 0.0 109.549 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 15.3 t -73.79 -36.81 65.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.0 109.395 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -80.65 -18.53 47.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 108.775 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.71 -30.92 28.8 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . 0.325 37.4 pt -75.09 -40.02 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 32.4 t -67.91 -36.58 80.43 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.276 -0.89 . . . . 0.0 108.709 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.01 -45.87 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.13 -55.62 16.84 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.291 -0.88 . . . . 0.0 109.114 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.27 -31.86 66.01 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.119 -0.988 . . . . 0.0 108.961 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.69 -57.13 12.68 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.273 -0.892 . . . . 0.0 108.884 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -59.21 -31.69 69.27 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.36 -0.837 . . . . 0.0 108.923 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.62 76.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.329 -0.857 . . . . 0.0 108.898 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' E' ' 18' ' ' LEU . 60.0 t -78.36 -32.58 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.322 -0.861 . . . . 0.0 108.893 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -57.9 -59.83 4.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.41 -0.806 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -52.72 -21.96 4.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.245 -0.909 . . . . 0.0 108.827 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' LEU . . . . . 0.42 ' HB2' HD22 ' A' ' 19' ' ' LEU 0.278 0.1 OUTLIER -66.37 -54.84 19.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.287 179.728 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' LEU . . . . . 0.425 HD22 ' HB2' ' D' ' 18' ' ' LEU . 2.0 pp -64.46 -25.68 68.11 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.314 -0.867 . . . . 0.0 109.085 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' THR . . . . . . . . . . . . . 26.9 m -63.14 -49.39 74.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.282 -0.886 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' SER . . . . . 0.413 ' HB2' ' HG3' ' A' ' 23' ' ' ARG . 59.1 p -68.06 -47.94 66.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.199 -0.938 . . . . 0.0 109.143 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . 0.48 ' O ' ' OE1' ' D' ' 22' ' ' GLN . 10.9 mm100 -71.46 -5.15 30.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.863 . . . . 0.0 109.369 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ptt85 . . . . . 1 C--O 1.379 7.902 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' ' OH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_