data_2jt4_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 2jt4 _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 ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -88.33 132.22 34.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.362 0.601 . . . . 0.0 112.201 -169.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -133.59 164.05 24.36 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.012 175.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -119.48 130.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 117.067 0.434 . . . . 0.0 109.943 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.552 HG22 ' HB ' ' A' ' 25' ' ' ILE . 1.9 p -81.69 121.64 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -93.49 -41.36 9.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -96.47 133.0 41.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.269 0.557 . . . . 0.0 111.782 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.617 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 14.4 t70 -80.42 97.36 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.827 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 90.2 t80 -113.33 118.09 33.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.324 -173.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.552 ' HA ' HG21 ' A' ' 24' ' ' THR . 26.5 mmt -90.13 121.23 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.869 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -93.89 131.95 38.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.46 -28.51 16.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.614 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -97.7 151.15 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.089 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.69 -27.0 63.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.244 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.92 -17.96 61.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.306 0.574 . . . . 0.0 110.142 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.651 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 51.4 mt-10 -95.42 151.58 19.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HB3' HG12 ' A' ' 56' ' ' VAL . 57.9 tp -106.03 123.28 47.74 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.615 -177.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.552 HG21 ' HA ' ' A' ' 16' ' ' MET . 91.3 m -74.43 108.5 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 173.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.552 ' HB ' HG22 ' A' ' 11' ' ' VAL . 22.4 pt -109.92 115.18 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.41 0.624 . . . . 0.0 111.023 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -85.24 129.37 34.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.762 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 43.0 t -57.98 120.9 9.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.251 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.67 -6.65 35.79 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.566 -0.825 . . . . 0.0 113.329 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.55 -169.24 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.291 0.546 . . . . 0.0 110.336 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -117.65 139.35 51.13 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.16 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.739 HG22 HD12 ' A' ' 61' ' ' ILE . 23.5 m -131.59 147.69 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 110.864 177.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CE2' HG23 ' A' ' 48' ' ' VAL . 46.4 m-85 -100.59 130.53 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.972 174.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -82.6 106.28 13.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.648 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -78.04 -64.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.616 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.61 ' H ' ' HB2' ' A' ' 44' ' ' MET . 6.0 t0 -130.38 136.43 49.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.727 175.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -134.75 9.22 3.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.497 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HZ1' ' CG ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -128.63 -13.27 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.444 -176.388 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -62.85 -41.83 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 109.326 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -138.21 158.81 43.56 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.122 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -95.65 -42.53 8.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.532 ' HA ' HD22 ' B' ' 8' ' ' LEU . 5.1 m-20 -77.93 -49.72 13.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.965 0.412 . . . . 0.0 111.436 -175.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -111.1 132.81 53.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.389 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -113.57 164.55 13.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.61 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 70.3 mmm -95.31 110.85 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.574 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.411 ' SG ' HG13 ' A' ' 61' ' ' ILE . 98.1 m -121.56 152.33 39.35 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -127.69 125.27 39.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.834 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.424 HD21 HG11 ' A' ' 31' ' ' VAL . 68.2 mt -63.84 125.44 24.39 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.59 HG23 ' CE2' ' A' ' 32' ' ' TYR . 77.8 t -58.0 -44.14 86.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.796 -176.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -87.8 -49.86 6.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.407 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.31 -30.2 67.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.525 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.21 88.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.695 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -82.49 132.41 35.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -112.53 148.9 33.52 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.83 -178.5 48.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.848 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.23 134.52 33.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 23' ' ' LEU . 26.7 m -139.5 156.65 71.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.971 175.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.463 ' HB3' HG21 ' B' ' 70' ' ' VAL . 29.7 Cg_exo -62.95 133.55 42.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.545 2.163 . . . . 0.0 112.172 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.34 -48.7 65.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.627 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 5.3 pt20 -84.26 20.71 1.56 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -104.58 -13.11 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.739 HD12 HG22 ' A' ' 31' ' ' VAL . 51.0 mm -115.25 124.36 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.261 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -116.41 114.75 40.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 37.7 Cg_exo -59.9 135.56 64.0 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 -177.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.237 0.447 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.094 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.457 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 19.7 ptt? . . . . . 0 CA--C 1.5 -0.953 0 CA-C-O 121.761 0.791 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -119.06 122.14 41.44 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.623 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.2 pt -117.35 140.51 39.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.687 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.38 93.79 9.66 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.725 HG11 HG13 ' B' ' 13' ' ' ILE . 2.7 p -87.77 106.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.171 0.986 . . . . 0.0 109.681 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 48.7 tttp -98.39 108.19 20.83 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.238 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.596 HG22 HD22 ' B' ' 69' ' ' LEU . 39.1 p -67.85 155.84 38.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.627 ' HA ' ' NE2' ' A' ' 59' ' ' GLN . 6.4 tt -65.66 -22.86 66.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.023 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -74.9 -11.43 60.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 111.575 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.26 5.07 43.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.769 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.468 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 21.5 tptp -85.85 93.5 8.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 4.0 m -88.55 107.43 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.098 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.725 HG13 HG11 ' B' ' 5' ' ' VAL . 12.6 pt -113.89 142.87 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.053 0.454 . . . . 0.0 111.349 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -91.44 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.901 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.776 HD11 HG11 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -101.45 125.56 48.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -173.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' B' ' 1' ' ' MET . 13.0 tp10 -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.699 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.776 HG11 HD11 ' B' ' 15' ' ' LEU . 0.5 OUTLIER -143.8 155.22 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.635 -176.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.414 ' N ' HG22 ' B' ' 17' ' ' VAL . 1.0 OUTLIER -79.67 145.79 32.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.649 -178.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -59.28 -23.46 62.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -103.78 11.14 36.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.543 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.01 146.62 41.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.657 0.265 . . . . 0.0 110.494 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 36.4 p -77.96 154.22 31.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.094 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.48 HG13 ' HB3' ' B' ' 50' ' ' LEU . 49.5 mm -61.22 -30.74 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.28 -51.05 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.608 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.575 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.6 t30 -68.91 -32.97 72.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.553 ' HA ' ' HD2' ' B' ' 29' ' ' LYS . 73.3 t -59.46 -44.18 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.332 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 99.1 mttt -63.35 -36.05 82.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.838 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -62.11 -41.03 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.978 0.418 . . . . 0.0 110.357 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 53.0 mttm -63.64 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.406 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.68 -33.81 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.054 0.454 . . . . 0.0 110.381 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.455 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 63.9 tt0 -66.96 -26.51 66.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.18 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.89 -42.67 23.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.205 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' B' ' 33' ' ' LYS . 14.6 tppt? -65.81 -66.96 0.48 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -102.48 -31.69 10.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.095 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.94 65.5 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.392 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.448 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 32.4 mt -123.61 133.46 24.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -55.71 124.63 16.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.96 2.44 . . . . 0.0 112.611 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.51 -42.76 64.75 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.616 2.877 . . . . 0.0 113.957 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.02 -36.82 80.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.337 0.589 . . . . 0.0 110.603 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -72.24 -19.99 61.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.265 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.477 ' HB3' HD11 ' B' ' 69' ' ' LEU . 48.9 mt-30 -90.01 119.47 30.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.977 -174.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.502 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 79.8 mtt180 -115.26 108.49 16.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.046 172.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.529 ' HG ' HD12 ' B' ' 69' ' ' LEU . 6.0 mp -86.71 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.85 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.0 mt -119.08 119.79 61.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -118.82 116.79 27.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.219 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 20.06 10.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.957 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.617 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 97.94 -2.13 59.85 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -97.16 118.21 33.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.386 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.502 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 28.3 tt0 -77.77 127.65 32.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.48 ' HB3' HG13 ' B' ' 23' ' ' ILE . 26.0 mt -90.49 130.49 36.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.884 -172.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -83.24 149.54 26.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.446 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 2.2 m-20 -60.79 -43.79 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.565 -177.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.58 -0.6 80.2 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 121.093 -0.575 . . . . 0.0 114.062 -172.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -105.95 159.72 15.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.208 0.504 . . . . 0.0 110.279 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.0 p -97.78 178.26 5.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.81 -27.39 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.037 0.446 . . . . 0.0 110.189 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -77.3 -31.56 54.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.049 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.98 -27.47 69.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.356 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -107.32 4.22 26.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.783 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 t30 56.04 68.26 0.89 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.626 0.726 . . . . 0.0 110.901 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -111.78 112.5 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.286 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -78.44 159.56 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.945 0.403 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.457 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 9.5 ptpp? -68.39 161.45 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 59.53 32.49 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.459 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -102.61 165.35 11.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.873 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -107.42 110.28 22.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.108 0.48 . . . . 0.0 110.884 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.76 138.9 37.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.648 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -96.05 123.83 39.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.596 HD22 HG22 ' B' ' 7' ' ' THR . 37.2 tp -102.92 101.62 11.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.219 0.533 . . . . 0.0 110.332 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.463 HG21 ' HB3' ' A' ' 57' ' ' PRO . 46.4 t -98.67 127.05 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.587 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.42 151.86 22.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -71.64 176.11 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.918 174.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 121.542 0.687 . . . . 0.0 109.601 175.596 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 52.0 mttp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.664 0.269 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.43 150.07 26.27 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 153.3 24.49 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.606 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.575 HG12 HG22 ' A' ' 64' ' ' VAL . 42.6 mm -109.59 129.59 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 p -84.89 114.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.154 0.502 . . . . 0.0 110.163 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -84.87 -45.9 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.055 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.538 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 80.2 m-85 -109.28 135.09 50.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.304 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.97 149.7 49.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.075 -176.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB3' HG12 ' A' ' 25' ' ' ILE . 64.3 t80 -139.47 118.38 12.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.664 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.681 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.3 ptp -101.4 131.14 47.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.066 0.46 . . . . 0.0 109.989 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -97.96 146.06 25.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.284 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -103.58 -25.36 13.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -109.17 144.9 36.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -74.01 -8.54 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.417 0.627 . . . . 0.0 110.21 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.89 -26.96 64.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.412 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.615 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 44.0 mt-10 -95.51 148.72 22.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.003 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.485 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 44.4 tp -103.23 111.18 23.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 111.128 -173.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.681 HG23 ' HA ' ' A' ' 16' ' ' MET . 29.5 m -68.04 111.52 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.446 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.6 pt -120.75 146.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.25 -175.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HZ2' ' HB2' ' A' ' 26' ' ' LYS . 8.9 mtmp? -114.01 145.88 40.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 p -59.82 121.98 13.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.29 -14.88 27.94 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.666 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -70.44 153.84 42.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.293 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.722 ' HB2' ' HB ' ' A' ' 48' ' ' VAL . 41.8 mmtm -100.81 130.14 46.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG12 HD23 ' A' ' 47' ' ' LEU . 23.2 m -131.25 148.43 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.201 0.524 . . . . 0.0 112.141 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.539 ' CD2' HG21 ' A' ' 48' ' ' VAL . 7.4 m-85 -98.49 128.1 44.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.43 170.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.403 HG22 ' HB3' ' A' ' 36' ' ' ASP . 51.2 mt -83.34 95.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 84.0 mt -66.2 -58.68 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.836 -176.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.501 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.7 m-20 -126.01 99.84 6.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.743 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.403 ' HB3' HG22 ' A' ' 33' ' ' ILE . 7.7 p-10 -91.22 -13.06 33.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.974 174.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.99 9.54 42.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.836 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 23.7 ttpp -78.2 -49.21 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.473 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 42' ' ' TRP . 21.5 m -145.85 178.44 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -175.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.29 -38.93 14.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.01 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -108.69 -36.13 6.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.798 -172.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.453 ' HB2' HD13 ' B' ' 73' ' ' LEU . 83.1 m95 -110.82 122.55 48.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -113.33 166.81 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.482 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 82.6 mmm -96.06 126.0 40.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 64.7 m -131.14 146.03 52.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.218 0.532 . . . . 0.0 111.495 177.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -121.65 129.2 52.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.619 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.414 HD23 HG12 ' A' ' 31' ' ' VAL . 93.9 mt -63.58 120.86 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.529 0.204 . . . . 0.0 111.009 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.722 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 81.0 t -67.03 -31.06 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 0.0 109.951 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.16 3.19 31.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.774 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.5 t -149.93 -62.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.98 -13.26 9.14 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.737 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.52 139.94 57.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -121.32 161.32 22.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.556 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 179.99 177.7 48.15 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.223 -0.989 . . . . 0.0 112.815 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.47 131.85 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.64 0.257 . . . . 0.0 110.794 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.445 HG22 ' SG ' ' A' ' 45' ' ' CYS . 34.9 m -136.89 151.5 72.4 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 3.0 Cg_exo -76.54 128.02 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.921 2.414 . . . . 0.0 111.962 176.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.44 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.443 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.741 ' HB3' ' HB3' ' B' ' 8' ' ' LEU . 7.0 pt20 -66.01 -8.38 22.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.12 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 13' ' ' TYR . 22.1 m-30 -113.63 -4.32 13.48 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.982 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -117.54 132.26 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -127.29 119.36 21.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.96 134.03 57.61 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.898 2.399 . . . . 0.0 112.634 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.575 HG22 HG12 ' A' ' 10' ' ' ILE . 48.6 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.209 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.466 ' HG3' ' HA ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.069 0.461 . . . . 0.0 110.654 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 77.0 mt-30 -83.65 142.13 31.01 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 177.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.415 HG22 ' SD ' ' B' ' 1' ' ' MET . 26.8 pt -123.66 139.71 49.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 167.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.417 ' HB2' HG23 ' B' ' 66' ' ' THR . 87.3 m-85 -96.93 106.59 18.95 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.883 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' B' ' 12' ' ' THR . 59.9 t -85.71 101.27 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.618 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -107.71 119.81 40.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p -79.86 167.97 19.86 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 59' ' ' GLN . 1.8 pp -75.78 -5.64 46.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.901 0.382 . . . . 0.0 111.333 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 p -89.36 -40.13 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.384 . . . . 0.0 110.315 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.18 -15.55 1.7 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.817 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.425 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 27.1 mtpp -63.29 107.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.706 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 4.6 m -119.85 105.16 10.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.248 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.415 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.4 pt -106.77 138.41 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.928 0.394 . . . . 0.0 111.232 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -86.57 118.66 26.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.391 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 tp -116.65 119.29 35.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.698 0.285 . . . . 0.0 111.131 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 tp10 -79.49 101.25 8.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.235 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.17 -157.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.466 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 5.6 tp10 -151.94 153.13 33.49 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.144 174.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.593 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 6.8 p -65.48 -24.25 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.38 13.85 12.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -101.26 171.08 7.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 38.8 p -102.4 148.08 25.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.67 0.271 . . . . 0.0 111.186 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -34.78 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.04 -45.53 86.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.161 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.56 -36.96 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.468 ' O ' HG13 ' B' ' 30' ' ' ILE . 88.7 t -60.89 -42.21 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.518 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 93.0 mttt -54.73 -44.93 73.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.442 . . . . 0.0 110.807 176.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -64.37 -36.41 84.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.409 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.7 mtpp -69.82 -29.34 66.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.233 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.3 mt -72.77 -38.84 58.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -62.21 -35.84 80.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.523 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 27.9 t70 -58.79 -28.92 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.942 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -80.69 -67.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.739 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.425 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 35.5 mt-10 -121.02 17.01 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.31 43.14 98.86 Favored Glycine 0 C--N 1.324 -0.13 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.137 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.7 mt -94.45 119.68 66.09 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.51 124.77 17.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.124 2.549 . . . . 0.0 112.882 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.6 Cg_exo -52.13 -39.33 71.07 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.609 2.873 . . . . 0.0 113.433 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.42 -17.14 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 111.176 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' B' ' 40' ' ' GLN . 3.4 tt0 -95.5 -5.25 43.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.601 -176.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -103.28 139.1 39.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.451 ' HD2' ' HB3' ' B' ' 49' ' ' GLN . 15.8 tpp180 -129.02 103.81 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.514 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.44 132.61 34.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.282 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.61 122.83 68.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.998 0.427 . . . . 0.0 110.749 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.444 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 88.6 t80 -122.22 116.61 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.203 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 22.95 13.72 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.357 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 16' ' ' MET . . . 95.19 -3.81 66.91 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.143 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.566 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.7 ttmm -96.39 125.32 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.789 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.451 ' HB3' ' HD2' ' B' ' 42' ' ' ARG . 45.5 mt-30 -79.25 138.2 37.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.083 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.6 mt -97.82 125.95 42.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.08 166.02 11.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.518 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 8.0 m-20 -77.63 168.99 19.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.068 0.461 . . . . 0.0 111.413 -177.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.96 -47.45 2.94 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.093 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.401 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 9.0 mmm180 -78.55 163.95 25.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 31.9 p -96.03 168.08 10.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.593 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 3.4 mm? -63.59 -40.2 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.588 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.537 ' HG ' ' HB2' ' B' ' 19' ' ' SER . 74.6 m -62.93 -27.47 69.4 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.521 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.52 -34.85 77.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.566 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 94.7 m-85 -91.34 10.61 26.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.147 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m120 66.52 27.04 9.82 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.82 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.41 HD13 HD12 ' B' ' 56' ' ' LEU . 59.0 mt -79.15 138.81 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.902 0.382 . . . . 0.0 110.225 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -104.93 -175.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.664 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.428 ' HG2' ' HG2' ' B' ' 1' ' ' MET . 67.8 mttm -84.84 138.78 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.289 175.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 34.3 mt-10 68.7 25.02 6.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.293 0.568 . . . . 0.0 110.702 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.444 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 13.8 p -86.52 163.14 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.417 HG23 ' HB2' ' B' ' 4' ' ' PHE . 29.0 m -111.1 133.01 53.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.056 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.93 150.23 40.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.327 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -92.63 127.98 38.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.254 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.74 106.87 17.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.203 0.525 . . . . 0.0 110.404 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.84 153.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.32 153.0 17.89 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.544 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -88.21 119.51 28.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.292 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 42' ' ' TRP . 83.9 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.308 0.575 . . . . 0.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.642 ' HG3' ' HB ' ' A' ' 33' ' ' ILE . 9.3 ptmt . . . . . 0 C--O 1.225 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -91.42 142.54 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.05 144.48 15.05 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.055 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.744 HG12 ' HG2' ' A' ' 30' ' ' LYS . 50.8 mt -110.81 113.24 43.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.32 122.47 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.116 0.484 . . . . 0.0 110.344 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.67 -30.57 17.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.038 -173.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.603 ' HB2' ' HD1' ' A' ' 60' ' ' PHE . 70.6 m-85 -127.97 151.69 48.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 -174.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.75 144.7 43.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.04 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 59.7 t80 -146.22 118.73 8.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.752 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.497 ' HA ' HG22 ' A' ' 24' ' ' THR . 86.8 mtp -85.32 145.9 27.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.757 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.621 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -115.23 149.27 38.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -102.67 -25.87 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.725 0.297 . . . . 0.0 111.003 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 t -129.26 169.28 15.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.548 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -75.23 -15.07 60.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.25 -35.31 79.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.538 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 36.3 mt-10 -92.41 175.65 6.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.083 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD22 ' HG ' ' A' ' 47' ' ' LEU . 66.3 tp -132.09 125.33 31.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.128 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 16' ' ' MET . 21.8 m -76.88 103.56 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.578 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.0 pt -100.47 147.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.161 -175.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -104.88 138.7 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.763 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -65.16 106.13 1.24 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.82 5.4 27.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.014 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -94.9 173.67 7.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.744 ' HG2' HG12 ' A' ' 10' ' ' ILE . 36.0 mtmm -120.95 140.41 51.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.532 HG13 HD22 ' A' ' 47' ' ' LEU . 35.7 m -132.23 153.21 37.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.82 -178.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.433 ' CE2' HG21 ' A' ' 48' ' ' VAL . 46.7 m-85 -97.34 128.54 44.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.642 ' HB ' ' HG3' ' A' ' 7' ' ' LYS . 64.5 mt -85.32 105.57 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 3.5 mm? -66.27 -54.8 20.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.103 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -140.64 135.3 31.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.25 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -105.16 -22.62 13.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.394 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HZ3' ' HB2' ' A' ' 37' ' ' LYS . 10.3 mtmp? -120.2 3.39 10.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.179 -168.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -61.23 -45.32 95.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.253 0.549 . . . . 0.0 109.911 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 35.0 m -106.3 -89.88 0.43 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.465 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 39' ' ' SER . 76.4 tttt 165.17 -55.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.863 0.727 . . . . 0.0 109.541 175.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.1 -46.63 8.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.767 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -93.73 131.99 38.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.091 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -116.01 164.89 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.546 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 42.7 mtp -99.61 126.43 45.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.427 ' SG ' HG12 ' A' ' 33' ' ' ILE . 84.8 m -138.98 161.48 37.26 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.198 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 42.3 tt0 -132.4 129.13 38.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.154 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.532 HD22 HG13 ' A' ' 31' ' ' VAL . 95.4 mt -66.95 124.12 22.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.433 HG21 ' CE2' ' A' ' 32' ' ' TYR . 57.7 t -59.15 -50.25 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.364 0.415 . . . . 0.0 111.441 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -82.98 -51.89 7.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -64.85 -28.4 69.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.638 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.18 66.14 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.561 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -116.72 125.29 51.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.627 0.251 . . . . 0.0 110.662 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 18.9 t -109.0 148.41 30.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.246 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.25 -175.57 41.96 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.67 131.59 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.436 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 35.9 m -131.15 153.56 81.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 8.4 Cg_exo -73.55 126.53 10.96 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.87 2.38 . . . . 0.0 111.593 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' B' ' 8' ' ' LEU . . . -55.61 -27.59 50.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.537 HE22 ' HB3' ' B' ' 68' ' ' HIS . 7.6 pt20 -63.76 -12.1 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.603 ' HD1' ' HB2' ' A' ' 13' ' ' TYR . 44.4 m-85 -104.34 -7.3 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.704 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.433 HG23 HD12 ' A' ' 33' ' ' ILE . 46.5 mm -105.43 130.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 111.688 -174.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -105.09 107.29 58.52 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.183 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.47 115.13 2.29 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.69 2.26 . . . . 0.0 112.167 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 64' ' ' VAL . 12.6 p . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.983 0.896 . . . . 0.0 110.233 -175.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.79 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 22.8 ptt? . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.155 0.502 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.38 127.91 34.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.439 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.421 HD11 HD11 ' B' ' 67' ' ' LEU . 35.9 pt -116.51 138.13 48.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.97 96.21 7.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.214 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.744 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.5 t -80.57 97.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.851 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.62 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.0 mttm -98.72 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.122 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.491 HG21 HD21 ' B' ' 69' ' ' LEU . 70.9 p -71.49 168.55 17.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.511 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.622 HD11 HG22 ' B' ' 70' ' ' VAL . 8.4 tt -61.13 -30.22 70.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.5 p -77.12 -7.69 56.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.2 27.03 22.06 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.263 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 14.0 mmmm -94.42 135.65 35.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -103.35 106.69 17.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.869 0.366 . . . . 0.0 110.792 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.744 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 67.8 mt -100.36 109.16 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.222 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -87.94 112.59 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.93 134.38 55.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -175.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -94.76 102.78 14.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.51 156.93 42.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.803 0.335 . . . . 0.0 110.689 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.39 158.46 15.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.786 0.327 . . . . 0.0 110.549 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 4.4 p -71.8 -20.78 61.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.302 176.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -76.35 -10.78 59.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.029 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -88.92 160.25 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 40.5 p -93.41 156.47 16.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.793 0.33 . . . . 0.0 111.262 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.53 HG23 ' HE3' ' B' ' 27' ' ' LYS . 49.0 mm -60.37 -37.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.594 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.98 -47.52 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.149 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.571 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 22.8 t30 -74.77 -34.02 62.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -174.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.57 HG23 HD11 ' B' ' 56' ' ' LEU . 74.5 t -64.77 -41.33 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 110.223 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.53 ' HE3' HG23 ' B' ' 23' ' ' ILE . 97.5 mttt -60.88 -40.16 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -74.47 -21.01 59.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 69.0 mttm -66.97 -43.36 83.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.165 0.507 . . . . 0.0 109.65 170.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.81 -32.03 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.059 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 21.5 tm0? -65.47 -32.58 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.642 175.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.44 -34.1 69.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -77.98 -72.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.287 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.44 -23.92 20.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 111.639 -174.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.92 40.9 6.08 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.128 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -103.25 121.8 47.46 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.81 131.84 48.45 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.008 2.472 . . . . 0.0 112.29 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.407 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 46.9 Cg_exo -57.56 -39.14 90.79 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.141 2.561 . . . . 0.0 112.756 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.582 . . . . 0.0 110.366 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -78.49 -13.71 59.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.695 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.24 121.01 33.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -121.11 108.1 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.2 mt -83.15 136.29 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 61.7 mt -117.45 117.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.484 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -112.87 99.29 7.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.234 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 25.47 11.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.483 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.69 -26.57 9.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.103 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 28.8 mtpp -71.83 134.73 46.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 111.053 -177.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -89.83 114.27 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.957 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.1 mp -86.35 104.76 16.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -91.43 170.1 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.374 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.458 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 4.2 m-20 -81.24 169.79 16.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.624 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.18 -24.55 31.81 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.815 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.401 ' HD2' ' CG ' ' B' ' 58' ' ' ASP . 38.3 mmt180 -108.7 169.7 8.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.083 0.468 . . . . 0.0 111.877 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.1 p -95.7 178.5 5.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.493 175.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.57 HD11 HG23 ' B' ' 26' ' ' VAL . 6.6 mp -76.04 -23.17 55.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 110.052 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.2 t -68.92 -35.55 76.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.03 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 31.2 m-20 -62.5 -35.35 79.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.441 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -89.78 6.08 43.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m120 62.34 33.05 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.647 0.592 . . . . 0.0 111.066 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.458 HD13 HD22 ' B' ' 50' ' ' LEU . 69.8 mt -72.98 135.85 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -114.59 -178.68 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.79 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 37.8 mtmm -71.04 140.55 50.79 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.804 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 63.74 33.29 13.06 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.891 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -76.9 146.14 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.279 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -95.37 106.6 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.71 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.421 HD11 HD11 ' B' ' 3' ' ' ILE . 95.3 mt -103.72 119.33 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.537 ' HB3' HE22 ' A' ' 59' ' ' GLN . 40.7 m-70 -89.87 126.44 35.71 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.672 178.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.491 HD21 HG21 ' B' ' 7' ' ' THR . 53.1 tp -96.73 103.61 15.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.622 HG22 HD11 ' B' ' 8' ' ' LEU . 4.8 p -98.16 136.43 29.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.26 140.67 29.24 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.243 0.544 . . . . 0.0 111.674 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -77.39 127.42 32.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 173.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -174.196 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 47.3 mtpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.052 0.453 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -127.91 149.17 50.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.119 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.8 166.24 34.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.192 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.527 HG12 ' HD2' ' A' ' 30' ' ' LYS . 62.4 mt -131.1 130.07 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.495 HG21 HD11 ' A' ' 25' ' ' ILE . 7.7 p -80.34 129.82 36.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.329 0.585 . . . . 0.0 110.699 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -95.74 -16.2 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.896 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.403 ' O ' HG23 ' A' ' 11' ' ' VAL . 96.8 m-85 -122.75 -174.91 3.03 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -102.26 163.67 12.11 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.444 ' HB3' HG12 ' A' ' 25' ' ' ILE . 61.8 t80 -156.05 116.01 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.022 0.439 . . . . 0.0 110.804 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mmm -94.39 120.2 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.979 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -94.54 157.07 16.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -130.87 -33.97 1.53 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.104 0.478 . . . . 0.0 109.944 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.604 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 12.3 t -84.42 152.32 24.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.592 -174.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.84 -20.61 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.596 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.622 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 55.4 mt-10 -81.53 170.98 15.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.126 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.672 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 45.5 tp -135.97 116.49 13.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.612 0.244 . . . . 0.0 110.809 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.8 m -71.93 113.85 9.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.529 177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.495 HD11 HG21 ' A' ' 11' ' ' VAL . 24.1 pt -123.49 153.32 29.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.263 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -118.28 157.32 27.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.209 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.21 112.94 1.71 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.72 0.13 29.0 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.227 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.96 145.05 54.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 111.061 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.527 ' HD2' HG12 ' A' ' 10' ' ' ILE . 13.5 tptp -96.04 118.26 32.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.337 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.48 153.48 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 112.485 -174.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 25.5 m-85 -97.63 132.88 42.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.668 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.551 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.3 mt -87.15 96.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 56.5 mt -71.94 -59.62 2.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.297 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -137.69 124.12 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.265 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.491 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 6.4 p-10 -121.02 25.64 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.583 0.706 . . . . 0.0 109.482 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -117.24 -29.15 5.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.391 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -37.71 81.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 111.026 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 169.01 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -109.04 3.39 22.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.761 0.791 . . . . 0.0 109.667 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.666 ' HB3' HD11 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -120.71 -63.44 1.35 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.074 -173.393 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.492 ' HB3' ' HG ' ' A' ' 55' ' ' LEU . 80.6 m95 -98.61 123.53 42.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CE2' ' HB2' ' A' ' 36' ' ' ASP . 40.9 m0 -115.47 162.1 17.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.289 -176.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.542 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 69.7 mmm -92.31 106.57 18.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.733 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 87.1 m -115.96 141.08 48.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.096 0.474 . . . . 0.0 110.296 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -119.49 129.1 54.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.531 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HG ' HD23 ' A' ' 23' ' ' LEU . 88.4 mt -64.64 116.84 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 32' ' ' TYR . 89.1 t -53.23 -55.12 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.76 -18.52 58.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.863 0.363 . . . . 0.0 111.905 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -102.9 -30.41 10.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.92 -172.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.04 -11.11 65.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -73.99 121.22 20.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.1 m -102.41 143.62 31.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.516 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.672 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -155.45 177.83 32.41 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.769 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.492 ' HG ' ' HB3' ' A' ' 42' ' ' TRP . 20.1 tp -97.46 122.35 40.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -177.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.1 158.89 74.3 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.623 0.249 . . . . 0.0 111.146 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.85 129.8 13.83 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.997 2.465 . . . . 0.0 112.48 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.09 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.611 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -75.88 12.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.28 -6.28 4.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.06 128.48 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.622 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -108.44 104.21 53.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.27 147.88 83.93 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.963 2.442 . . . . 0.0 112.268 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.033 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.417 ' HG2' ' HA ' ' B' ' 18' ' ' GLU . 6.3 ptm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.365 0.602 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.467 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 78.0 mt-30 -93.97 128.35 40.25 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.909 177.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.437 HD11 HD13 ' B' ' 67' ' ' LEU . 27.5 pt -117.55 142.61 30.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.025 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -96.72 93.84 6.95 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.31 119.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.667 0.746 . . . . 0.0 110.568 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -103.34 114.66 29.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.736 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.599 HG21 HD22 ' B' ' 69' ' ' LEU . 80.9 p -74.1 178.14 5.24 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' A' ' 41' ' ' ASP . 3.5 tt -50.48 -52.22 40.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.396 176.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -26.24 65.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.854 -173.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.12 -6.4 12.03 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.462 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.405 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.0 tptm -58.65 114.49 2.52 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.208 -0.496 . . . . 0.0 110.08 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.8 m -97.97 118.32 34.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.966 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.65 122.09 68.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.2 m -80.23 110.91 16.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.55 HD11 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.16 129.49 55.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 -172.824 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.76 107.49 18.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.163 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.55 HG13 HD11 ' B' ' 15' ' ' LEU . 34.6 m -134.05 -177.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.337 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 47.7 mt-10 -128.9 170.91 12.83 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 5.5 p -66.79 -32.74 74.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.162 0.506 . . . . 0.0 110.25 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -79.56 -4.57 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.111 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.572 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -66.64 144.16 56.56 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.029 175.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG21 ' B' ' 26' ' ' VAL . 31.8 p -87.05 149.32 24.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.514 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 50.1 mm -55.9 -34.37 37.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 36.8 t70 -72.63 -32.11 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.104 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -65.05 -39.37 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.348 0.594 . . . . 0.0 109.579 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.416 HG21 ' O ' ' B' ' 22' ' ' THR . 16.3 t -63.78 -39.7 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.654 176.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 95.9 mttt -56.47 -47.42 79.26 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.557 175.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -60.41 -40.34 90.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.935 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.406 ' HB3' HD12 ' B' ' 15' ' ' LEU . 99.6 mttt -66.59 -29.21 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -80.71 -40.99 19.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.012 0.434 . . . . 0.0 110.47 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.65 -34.78 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.433 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.34 -25.81 50.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.028 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -107.82 -60.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.881 -174.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.409 ' HB3' HG13 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -88.19 -13.4 41.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.764 0.316 . . . . 0.0 111.804 -176.281 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.07 60.55 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.663 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 62.6 mt -89.01 118.49 69.27 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.486 0.184 . . . . 0.0 110.568 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.524 ' HB2' ' OD1' ' B' ' 39' ' ' ASP . 9.3 Cg_endo -54.14 135.26 63.87 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.173 2.582 . . . . 0.0 112.494 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -57.05 -33.57 95.97 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.399 2.732 . . . . 0.0 113.004 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.524 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 16.8 p-10 -72.11 -23.93 61.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.653 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 8.5 tt0 -82.87 -26.82 31.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.29 0.567 . . . . 0.0 110.144 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -77.59 111.42 13.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.17 -175.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -113.4 112.79 24.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.9 mm? -86.67 134.59 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -177.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -124.74 128.48 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.131 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -112.76 94.63 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.331 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.53 17.22 4.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.509 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.01 -24.4 6.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.365 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.663 ' HB2' ' HZ2' ' B' ' 48' ' ' LYS . 4.7 ttmp? -85.42 118.1 24.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -73.82 136.01 43.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 41.7 mt -106.96 113.76 27.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.36 151.71 20.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.746 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.459 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.2 p-10 -74.07 159.14 33.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.49 13.14 68.39 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -171.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -134.28 157.89 45.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -102.58 170.45 8.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.7 mp -72.6 -28.24 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -62.04 -37.54 85.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.66 -53.23 60.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.449 -176.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -84.73 3.4 37.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.297 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 54.22 65.25 1.56 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 111.039 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.9 mt -94.14 122.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.01 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -72.94 164.58 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.534 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.27 156.84 20.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 38.3 mt-10 64.96 22.66 12.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.387 0.613 . . . . 0.0 109.937 -176.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 p -82.97 163.61 20.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.36 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -109.76 125.45 52.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.437 HD13 HD11 ' B' ' 3' ' ' ILE . 88.9 mt -115.71 140.31 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.017 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -98.83 130.47 45.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.718 0.294 . . . . 0.0 110.224 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.599 HD22 HG21 ' B' ' 7' ' ' THR . 56.4 tp -106.1 98.47 8.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.404 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.14 130.3 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' B' ' 8' ' ' LEU . 2.9 mm? -92.95 125.99 37.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.323 0.583 . . . . 0.0 111.697 -171.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.653 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 65.7 ttt180 -72.38 112.94 8.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -165.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.6 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 61.9 mttp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.865 0.364 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -109.43 145.42 36.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.68 149.6 21.58 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.526 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.494 HG13 HG22 ' A' ' 64' ' ' VAL . 68.9 mt -115.33 111.74 36.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.558 HG23 HD12 ' A' ' 25' ' ' ILE . 2.9 p -72.11 133.81 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 111.173 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.41 -35.7 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.959 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -100.73 150.75 22.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 0.0 111.054 -176.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.413 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 11.2 m-20 -87.12 91.68 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.92 126.71 34.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.293 -174.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -93.82 123.19 37.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 124.35 32.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.804 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -76.89 -66.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.054 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -83.63 170.3 14.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.72 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -77.59 -20.84 53.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 109.924 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.99 -20.84 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.983 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -91.63 158.35 16.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.573 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.607 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.2 tp -125.38 126.28 44.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 0.0 111.455 -176.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -73.64 112.92 10.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.26 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.558 HD12 HG23 ' A' ' 11' ' ' VAL . 7.7 pt -116.45 144.57 23.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -105.6 143.04 34.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.923 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -58.38 116.98 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.062 0.458 . . . . 0.0 110.553 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.19 -10.29 31.35 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.714 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.35 146.06 55.04 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.149 0.5 . . . . 0.0 110.679 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 48' ' ' VAL . 10.9 tppt? -97.69 118.53 34.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.604 HG12 HD22 ' A' ' 47' ' ' LEU . 35.3 m -124.61 150.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.281 0.563 . . . . 0.0 111.692 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -98.35 134.4 41.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.359 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.6 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 49.7 mt -93.22 100.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.897 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.44 -63.95 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.547 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.613 ' H ' ' HB2' ' A' ' 44' ' ' MET . 47.9 t0 -112.2 125.66 54.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.441 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.2 p-10 -137.4 -26.65 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -172.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.29 -22.12 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.068 -0.395 . . . . 0.0 111.873 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -36.8 74.82 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -136.82 118.87 15.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.788 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -90.36 -6.24 55.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.097 0.475 . . . . 0.0 110.566 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.681 ' HA ' HD13 ' B' ' 8' ' ' LEU . 4.1 m-20 -84.66 -49.76 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -131.37 127.63 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.984 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.423 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 35.9 m0 -101.97 157.46 16.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.032 0.444 . . . . 0.0 111.614 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.613 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.6 mmm -92.4 102.04 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.995 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.569 ' SG ' HD22 ' A' ' 23' ' ' LEU . 29.6 p -100.57 146.81 26.65 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.485 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 50.0 tt0 -125.67 124.99 42.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.0 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 HG12 ' A' ' 31' ' ' VAL . 90.9 mt -76.12 133.93 40.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 30' ' ' LYS . 80.7 t -69.5 -36.81 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.84 -70.73 0.19 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 p -77.05 -50.64 12.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.904 0.383 . . . . 0.0 111.41 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.55 -0.25 29.24 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.367 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.6 155.76 40.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.636 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -131.19 160.85 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.607 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -179.44 169.3 40.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.866 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.96 130.94 35.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.626 0.251 . . . . 0.0 110.682 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 25' ' ' ILE . 27.1 m -140.2 157.18 69.43 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.308 177.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.4 131.22 44.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.796 2.33 . . . . 0.0 112.511 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.44 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.225 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.528 HE22 HG21 ' B' ' 70' ' ' VAL . 11.9 pm0 -85.01 3.76 37.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.859 0.361 . . . . 0.0 111.361 -174.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -91.59 -9.2 45.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.073 0.464 . . . . 0.0 110.271 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.428 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 41.4 mm -111.12 126.58 68.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.433 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -92.65 107.88 27.48 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 61' ' ' ILE . 27.3 Cg_exo -62.18 129.03 25.63 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.298 1.998 . . . . 0.0 111.054 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.494 HG22 HG13 ' A' ' 10' ' ' ILE . 4.9 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.785 0.802 . . . . 0.0 109.79 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.457 ' HB2' ' HG2' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -128.7 141.91 51.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.383 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.487 HD12 HD12 ' B' ' 67' ' ' LEU . 37.3 pt -125.41 158.34 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -106.03 107.54 18.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.119 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.3 t -84.54 98.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -101.73 110.23 22.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.717 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.604 HG21 HD22 ' B' ' 69' ' ' LEU . 62.5 p -82.61 -174.45 5.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.496 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.681 HD13 ' HA ' ' A' ' 41' ' ' ASP . 25.3 mt -74.11 -31.71 62.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.539 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 p -90.41 9.09 30.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.901 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.09 49.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.753 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -62.86 117.34 6.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.871 0.367 . . . . 0.0 110.201 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 17.2 m -123.88 114.11 19.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.415 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 pt -108.76 145.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.451 . . . . 0.0 111.283 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -90.62 112.02 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.689 HD11 HG12 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -106.8 128.12 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.876 -172.173 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -80.47 106.38 12.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.472 0.653 . . . . 0.0 111.015 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.689 HG12 HD11 ' B' ' 15' ' ' LEU . 15.8 m -141.64 153.08 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.927 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' B' ' 19' ' ' SER . 4.6 tp10 -111.62 173.24 6.44 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.446 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 7.2 m -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 0.0 110.409 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -81.27 -8.77 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.968 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -70.19 128.1 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.177 0.513 . . . . 0.0 110.904 -178.311 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.468 ' O ' HG21 ' B' ' 26' ' ' VAL . 9.9 p -81.29 151.11 28.22 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.962 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.538 HG23 ' HE3' ' B' ' 27' ' ' LYS . 43.1 mm -57.04 -40.42 72.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.677 0.275 . . . . 0.0 110.583 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.56 -43.96 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.409 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -70.19 -39.36 75.27 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.525 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.468 HG21 ' O ' ' B' ' 22' ' ' THR . 48.9 t -58.84 -42.47 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.538 ' HE3' HG23 ' B' ' 23' ' ' ILE . 98.6 mttt -58.3 -45.26 88.34 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.194 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.5 p -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 111.189 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.423 ' HB3' HD12 ' B' ' 15' ' ' LEU . 95.3 mttt -67.15 -38.99 86.44 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.4 mt -71.0 -35.25 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.94 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.42 -24.31 66.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.08 -32.13 66.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 0.0 110.546 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -92.68 -63.05 1.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.729 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.37 -24.11 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.03 45.6 25.62 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.076 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.9 130.34 23.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.54 129.93 37.34 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.964 2.443 . . . . 0.0 112.385 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.75 -27.47 85.02 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.281 2.654 . . . . 0.0 112.622 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.7 -35.56 80.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.358 0.599 . . . . 0.0 110.678 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.45 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 23.5 tt0 -81.9 -31.59 31.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.997 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.441 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 49.4 mt-30 -79.89 121.16 25.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.037 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -131.92 116.61 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.355 0.598 . . . . 0.0 110.435 166.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.418 HD13 HD11 ' B' ' 67' ' ' LEU . 63.9 mt -81.18 132.61 35.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.289 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 55.1 mt -119.51 126.12 75.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.018 0.437 . . . . 0.0 110.257 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -127.8 116.16 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.2 25.88 15.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.44 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 98.41 -14.17 62.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.754 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -85.95 129.38 34.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -86.94 115.8 24.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.446 HD21 HD12 ' B' ' 61' ' ' ILE . 10.0 mp -70.29 112.9 6.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.518 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 9.3 tp10 -64.88 146.98 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.584 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.37 -37.42 77.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.709 -174.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.04 26.21 25.18 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.294 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.518 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 10.3 mmt180 -107.39 170.39 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.078 0.439 . . . . 0.0 111.159 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -106.94 167.63 9.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.12 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.56 -26.4 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.026 0.441 . . . . 0.0 110.446 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 34.3 t -69.42 -34.43 74.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.719 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -64.27 -36.35 83.8 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.849 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.408 ' CZ ' ' HA ' ' B' ' 50' ' ' LEU . 82.5 m-85 -90.92 1.68 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 58.86 71.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.814 0.816 . . . . 0.0 110.267 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.446 HD12 HD21 ' B' ' 50' ' ' LEU . 69.2 mt -110.93 125.22 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.708 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -99.28 -176.17 3.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.457 ' HG2' ' HB2' ' B' ' 1' ' ' MET . 8.6 mtmp? -67.95 140.74 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.695 0.283 . . . . 0.0 111.27 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 67.33 20.18 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.575 171.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.6 m -70.86 133.09 46.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.712 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.3 m -88.78 114.79 25.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.866 0.365 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.487 HD12 HD12 ' B' ' 3' ' ' ILE . 81.6 mt -97.37 129.35 44.63 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.782 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.402 ' HB3' HE21 ' A' ' 59' ' ' GLN . 91.6 m-70 -85.62 109.12 18.34 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.604 HD22 HG21 ' B' ' 7' ' ' THR . 43.8 tp -83.67 104.18 13.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.024 0.44 . . . . 0.0 110.573 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.528 HG21 HE22 ' A' ' 59' ' ' GLN . 44.8 t -101.11 132.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.45 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 2.8 mm? -97.02 132.62 42.64 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.265 0.555 . . . . 0.0 111.074 -173.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -85.05 130.85 34.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.464 -176.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.68 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 91.4 mttt . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 8' ' ' ARG . 62.0 mtt85 -126.66 141.21 51.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.57 178.94 30.27 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.95 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -131.33 135.57 59.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.418 HG11 ' O ' ' A' ' 29' ' ' ASP . 2.4 p -76.19 122.91 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 110.294 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -98.09 -29.76 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.015 -172.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -119.44 158.46 26.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.974 0.416 . . . . 0.0 111.214 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.536 ' HB3' ' HA3' ' B' ' 47' ' ' GLY . 18.7 t0 -80.36 123.91 28.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.691 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.543 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 79.4 t80 -128.51 110.18 12.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.958 0.408 . . . . 0.0 111.293 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.706 ' HA ' HG21 ' A' ' 24' ' ' THR . 25.4 ptm -91.08 130.42 36.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.841 173.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -90.71 153.81 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.64 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HG2' ' NH2' ' B' ' 42' ' ' ARG . 11.4 pt-20 -116.93 -12.24 10.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.038 0.447 . . . . 0.0 109.975 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 m -121.63 157.01 31.74 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.899 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -74.08 -25.9 60.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.45 -23.33 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.639 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 45.1 mt-10 -77.26 171.41 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.147 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.539 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 50.3 tp -127.56 109.74 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.428 177.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.706 HG21 ' HA ' ' A' ' 16' ' ' MET . 33.7 m -64.95 105.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.944 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.543 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 15.1 pt -109.21 138.52 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.3 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -106.61 127.59 53.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.852 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -52.12 132.44 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.414 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -14.19 30.77 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.115 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' HG11 ' A' ' 11' ' ' VAL . 37.3 t0 -86.62 153.13 22.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 110.074 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' O ' HG21 ' A' ' 48' ' ' VAL . 80.9 tttt -91.54 137.05 32.67 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.572 HG21 HD12 ' A' ' 61' ' ' ILE . 16.3 m -129.78 147.6 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.389 0.614 . . . . 0.0 111.678 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.532 ' CE2' HG22 ' A' ' 48' ' ' VAL . 60.4 m-85 -98.53 123.72 42.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.482 173.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.68 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.8 mt -84.92 102.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.995 0.426 . . . . 0.0 109.947 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 89.0 mt -66.54 -46.82 74.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.836 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.551 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 5.8 t0 -153.31 142.63 21.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.062 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -110.48 -11.49 14.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.217 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 55.0 mtmt -141.71 27.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.848 -173.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.551 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 28.1 mmtm -69.97 -47.49 62.07 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 m -105.54 -5.81 19.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.554 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.613 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 80.6 tttt 70.17 -69.45 0.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.084 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.514 ' HB3' HD21 ' B' ' 8' ' ' LEU . 21.1 m-20 -79.57 -17.6 53.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.59 0.71 . . . . 0.0 110.227 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.407 ' HH2' ' OE2' ' A' ' 22' ' ' GLU . 12.0 m95 -115.85 132.94 56.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.954 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -111.03 159.07 18.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.244 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.423 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 18.9 mtp -108.21 112.7 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.9 m -124.69 148.13 48.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.068 0.461 . . . . 0.0 111.615 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 5.6 tt0 -121.85 129.76 52.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.213 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.568 HD21 HG12 ' A' ' 31' ' ' VAL . 90.8 mt -68.58 134.91 50.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.532 HG22 ' CE2' ' A' ' 32' ' ' TYR . 73.6 t -63.2 -51.21 74.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -69.56 -60.88 2.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.875 0.369 . . . . 0.0 111.481 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.3 p -74.16 -39.55 63.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.03 4.18 60.16 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.037 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -66.98 121.91 16.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.304 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 2.6 m -116.29 135.74 53.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.19 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.539 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -163.68 -176.26 35.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.62 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.63 132.13 35.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.818 0.342 . . . . 0.0 110.693 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.93 154.69 77.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 49.3 Cg_endo -71.64 142.76 40.64 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.403 2.069 . . . . 0.0 112.398 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -25.77 67.8 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 47.7 mt-30 -70.34 -3.76 18.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 4.1 m-85 -114.87 -8.2 12.57 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.985 -170.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.572 HD12 HG21 ' A' ' 31' ' ' VAL . 44.1 mm -115.65 127.85 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 111.13 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.57 108.29 58.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.483 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.04 127.4 24.1 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.473 2.115 . . . . 0.0 111.533 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.726 -173.423 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.42 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 121.193 0.521 . . . . 0.0 110.574 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 94.6 mt-30 -81.62 140.28 34.52 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.886 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -117.79 143.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.415 171.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -99.06 92.64 5.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.708 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.731 HG11 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -89.67 109.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.673 0.749 . . . . 0.0 110.192 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.8 mttp -95.8 113.63 25.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.815 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.576 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 81.2 p -71.9 159.64 33.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.849 -177.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 41' ' ' ASP . 3.2 tt -58.99 -33.66 70.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.15 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -66.33 -36.8 83.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.35 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.12 47.39 0.2 Allowed Glycine 0 CA--C 1.505 -0.544 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.762 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 16.4 tppt? -128.7 112.96 14.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.603 0.24 . . . . 0.0 110.577 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.2 m -83.09 95.93 8.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.438 . . . . 0.0 110.122 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.731 ' HB ' HG11 ' B' ' 5' ' ' VAL . 62.2 mt -90.7 136.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.309 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -99.04 113.07 25.09 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -117.75 135.19 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.788 -175.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -92.27 105.92 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.34 179.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 28.5 tt0 -122.18 151.06 41.39 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.915 -0.491 . . . . 0.0 110.469 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -58.79 -28.5 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.06 12.65 27.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.549 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -80.93 161.14 24.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.687 178.375 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.0 p -87.56 152.61 22.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.624 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.1 mm -60.92 -30.75 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.42 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.073 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -61.84 -45.86 91.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.745 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 65.2 t -58.83 -45.83 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.734 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 83.5 mttt -58.74 -42.65 89.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.314 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 t -65.1 -39.0 92.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.455 . . . . 0.0 110.766 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.424 ' HB3' HD12 ' B' ' 15' ' ' LEU . 30.2 mtpp -70.42 -29.0 65.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.7 mt -74.76 -35.63 37.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.32 -32.21 71.01 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.176 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.79 -33.5 74.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.321 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -87.34 -58.78 2.46 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.636 -174.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -91.79 -15.34 28.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 35.52 63.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.23 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.415 HG21 HE21 ' B' ' 40' ' ' GLN . 59.7 mt -106.02 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -177.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.89 131.37 34.17 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.168 2.578 . . . . 0.0 112.777 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.431 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 23.9 Cg_exo -64.24 -30.37 64.22 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.182 2.588 . . . . 0.0 112.496 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.52 -24.97 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.17 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.415 HE21 HG21 ' B' ' 36' ' ' ILE . 28.0 tt0 -90.02 -36.44 14.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.679 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.46 ' HB3' HD12 ' B' ' 69' ' ' LEU . 26.6 mt-30 -63.74 117.12 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.531 ' NH2' ' HG2' ' A' ' 18' ' ' GLU . 60.5 mtp180 -119.96 120.51 36.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.809 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.7 mt -97.53 132.72 42.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.22 128.47 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.186 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -130.64 114.21 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.958 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.59 18.86 9.9 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.536 ' HA3' ' HB3' ' A' ' 14' ' ' ASP . . . 99.85 -10.3 60.48 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -87.68 129.41 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.72 123.33 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.7 mp -82.5 105.61 13.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.992 0.425 . . . . 0.0 110.392 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -89.9 133.99 34.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.624 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.7 p-10 -76.51 141.61 41.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.13 -173.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.08 -30.15 6.7 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -89.23 -178.19 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 48.3 p -107.99 168.85 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.54 176.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.438 HD11 ' O ' ' B' ' 18' ' ' GLU . 97.3 mt -68.65 -23.15 64.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.226 0.536 . . . . 0.0 110.303 176.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.1 t -71.11 -21.61 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.49 -33.67 74.18 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' B' ' 50' ' ' LEU . 62.1 m-85 -106.17 11.19 31.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 52.57 48.91 21.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.236 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.34 126.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -90.1 -176.14 4.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.246 -176.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 93.7 mttt -74.65 146.38 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.952 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 67.43 24.39 8.84 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 172.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -79.99 151.34 30.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.432 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -98.58 129.48 45.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.144 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 77.8 mt -117.35 142.91 46.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.429 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -103.75 127.14 51.25 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.283 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.576 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 62.1 tp -97.91 107.21 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.189 0.519 . . . . 0.0 111.118 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.2 t -104.84 123.79 59.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.534 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.12 138.82 41.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -67.61 -25.77 65.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.087 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--O 1.233 0.204 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.388 179.174 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.717 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 43.6 mttp . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.792 0.33 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -126.03 140.56 52.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.104 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.25 167.3 29.02 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.44 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.512 ' CD1' ' HB ' ' A' ' 64' ' ' VAL . 2.4 mp -113.51 125.38 70.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 p -75.73 116.59 18.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.422 0.63 . . . . 0.0 110.432 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.6 -36.86 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.927 -172.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.8 147.01 49.55 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.196 -0.201 . . . . 0.0 110.75 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.08 149.66 47.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.005 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.568 ' HB3' HG12 ' A' ' 25' ' ' ILE . 71.0 t80 -144.34 109.94 5.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.861 0.363 . . . . 0.0 110.316 177.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.3 mmt -89.64 107.72 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.622 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -77.02 177.71 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.724 -175.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -141.62 -41.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.113 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -86.91 170.32 11.73 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -78.0 -17.2 57.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.382 . . . . 0.0 110.396 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.72 -36.81 78.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.579 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 1.7 mp0 -87.86 148.32 24.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.08 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.535 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 60.0 tp -111.69 127.8 55.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.291 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -73.08 101.24 3.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.568 HG12 ' HB3' ' A' ' 15' ' ' PHE . 20.6 pt -103.09 145.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -114.11 128.34 56.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.124 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.6 t -55.38 122.08 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.16 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.81 -3.84 45.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.691 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.24 178.5 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -112.2 120.42 41.72 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 28.7 m -122.14 137.39 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.4 0.619 . . . . 0.0 112.255 -177.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CD2' HG23 ' A' ' 48' ' ' VAL . 10.5 m-85 -87.95 117.65 26.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.616 170.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.717 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 60.8 mt -82.29 106.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 61.8 mt -69.25 -41.57 76.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.837 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 13.6 t70 -161.48 141.03 10.27 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.999 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' A' ' 33' ' ' ILE . 13.9 p-10 -138.76 19.14 2.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.839 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -123.88 -34.35 3.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.028 -172.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 43.6 mmtm -65.83 -27.42 68.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.684 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -133.85 145.76 49.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.95 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -92.76 -27.22 17.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -81.81 -69.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.471 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -104.81 137.96 41.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.916 0.389 . . . . 0.0 110.48 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.5 m0 -113.54 161.7 17.06 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.513 ' HG3' ' HB2' ' A' ' 34' ' ' LEU . 7.4 ptp -113.88 123.8 50.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.177 178.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.55 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 29.4 p -125.09 164.24 20.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.455 -178.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 26.0 tt0 -133.37 122.27 23.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.883 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.427 HD22 HG11 ' A' ' 31' ' ' VAL . 89.8 mt -60.73 123.7 18.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.574 HG23 ' CD2' ' A' ' 32' ' ' TYR . 97.3 t -60.33 -47.6 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -41.95 62.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.683 0.278 . . . . 0.0 110.947 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -83.38 -31.72 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.717 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.93 34.73 58.67 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.662 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 46' ' ' GLN . 26.6 mtpp -112.68 134.55 54.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -118.44 149.95 40.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.535 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -175.52 -178.87 45.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.41 136.82 32.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.477 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.89 157.65 71.27 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.278 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.571 ' HB3' HG22 ' B' ' 70' ' ' VAL . 24.0 Cg_exo -64.06 132.31 33.88 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.431 2.087 . . . . 0.0 111.839 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -28.94 62.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 111.726 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.73 0.44 17.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.9 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -110.44 -5.69 15.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.463 HD11 HG23 ' A' ' 31' ' ' VAL . 43.2 mm -120.43 138.14 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.199 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 9.6 tp10 -115.17 106.76 50.77 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.682 173.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 62' ' ' GLU . 18.0 Cg_endo -60.79 128.5 25.82 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.72 2.28 . . . . 0.0 111.774 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.512 ' HB ' ' CD1' ' A' ' 10' ' ' ILE . 4.8 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.038 0.447 . . . . 0.0 110.598 -175.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.744 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.192 0.52 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -87.73 134.17 33.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.553 ' HB ' HD12 ' B' ' 67' ' ' LEU . 34.6 pt -118.51 135.13 59.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 172.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -89.06 101.87 14.52 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -87.97 99.01 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.212 0.529 . . . . 0.0 110.671 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -81.9 109.24 16.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.505 174.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.56 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 47.4 p -79.21 153.6 29.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.934 0.397 . . . . 0.0 110.343 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.495 HD22 ' O ' ' B' ' 8' ' ' LEU . 5.3 tt -65.25 -20.57 66.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.694 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.8 p -78.17 -3.8 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.401 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 30.0 8.12 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.775 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' OG1' ' B' ' 7' ' ' THR . 48.6 mmtm -116.12 169.66 9.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -142.22 107.75 5.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.6 mt -108.26 113.33 43.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.695 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.0 m -72.16 112.32 8.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.841 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.621 HD12 HG11 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -112.28 124.61 52.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.58 113.57 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.413 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.621 HG11 HD12 ' B' ' 15' ' ' LEU . 12.0 m -140.86 157.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.683 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.609 ' O ' HD12 ' B' ' 56' ' ' LEU . 3.0 mp0 -104.19 161.96 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 14.4 m -66.1 -19.0 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -77.4 -14.35 59.73 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.35 146.11 50.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.131 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.765 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.3 p -88.48 158.76 18.24 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 30.6 mm -57.88 -30.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 173.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.52 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 24.1 t70 -62.55 -46.96 85.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.837 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 54.3 t30 -72.97 -33.81 66.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.579 HG21 ' O ' ' B' ' 22' ' ' THR . 47.1 t -62.33 -41.76 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 87.5 mttt -57.17 -40.87 78.18 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.391 174.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.7 t -63.44 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.7 mttt -73.46 -27.93 61.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 26' ' ' VAL . 62.8 mt -78.1 -32.52 17.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.29 0.566 . . . . 0.0 109.687 173.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.7 -29.78 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.675 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.93 -16.77 62.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.737 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.689 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -87.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -105.31 -15.08 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.98 66.75 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.538 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.35 124.63 91.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.631 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 22.5 Cg_endo -61.38 143.75 97.93 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.357 2.038 . . . . 0.0 111.841 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.2 Cg_exo -61.18 -27.0 83.21 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.015 2.477 . . . . 0.0 113.213 -177.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.75 -45.86 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.688 0.28 . . . . 0.0 111.213 -175.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.65 HE21 HD12 ' B' ' 71' ' ' LEU . 14.4 pt20 -80.53 1.86 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -176.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -99.41 123.56 43.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.727 0.298 . . . . 0.0 111.1 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -128.65 121.17 27.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -96.58 136.77 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.701 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.408 ' N ' HD13 ' B' ' 44' ' ' ILE . 4.2 mp -122.76 121.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 22.4 t80 -111.07 98.73 7.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.44 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.4 22.32 10.76 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.159 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 -10.6 27.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.597 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -84.02 139.2 32.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.514 0.197 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -79.19 117.5 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.636 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.64 HD22 HD12 ' B' ' 61' ' ' ILE . 10.0 mp -119.4 99.69 6.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.036 0.446 . . . . 0.0 110.996 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -119.7 166.78 12.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.52 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 7.1 p-10 -68.41 147.37 52.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.11 0.481 . . . . 0.0 111.135 -173.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.21 -42.14 1.92 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -84.91 160.69 20.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.332 . . . . 0.0 110.108 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.765 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.1 p -101.05 172.03 7.26 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.609 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.2 mt -74.5 -19.18 60.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.216 0.531 . . . . 0.0 109.736 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -80.82 -27.35 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -54.96 -60.94 2.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -83.91 -12.63 55.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.146 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 63.27 90.92 0.08 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.64 HD12 HD22 ' B' ' 50' ' ' LEU . 58.3 mt -101.33 144.31 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.84 -170.38 2.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.744 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 10.4 mtmp? -92.69 143.67 26.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.576 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.99 26.01 12.69 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.813 0.696 . . . . 0.0 111.152 173.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 18.7 m -80.19 155.61 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.3 m -100.34 126.42 46.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 111.316 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.553 HD12 ' HB ' ' B' ' 3' ' ' ILE . 7.7 mp -117.37 143.58 45.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -103.95 127.84 51.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.605 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.56 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 63.1 tp -94.18 108.37 20.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 57' ' ' PRO . 65.7 t -105.52 122.08 58.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.65 HD12 HE21 ' B' ' 40' ' ' GLN . 3.3 mm? -82.94 156.64 23.38 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.198 0.523 . . . . 0.0 111.291 -174.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -109.96 149.15 30.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.85 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.034 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -93.45 168.55 10.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.294 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.16 151.94 24.15 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.963 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.489 HG13 HG21 ' A' ' 64' ' ' VAL . 62.3 mt -119.39 120.93 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -78.19 136.07 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 111.887 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.735 HE21 ' HG3' ' A' ' 62' ' ' GLU . 79.9 mm-40 -74.49 -66.32 0.75 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.487 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.5 m-85 -96.84 -170.02 1.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.872 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -94.69 161.82 14.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.48 ' HB3' HG12 ' A' ' 25' ' ' ILE . 43.8 t80 -147.51 107.2 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.502 ' HA ' HG21 ' A' ' 24' ' ' THR . 66.2 mtt -93.73 105.2 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.859 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -76.63 156.17 32.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.88 -174.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.8 -33.36 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -94.5 153.92 17.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.896 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -71.41 -16.49 62.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.428 -175.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -84.64 -14.56 48.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.626 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 48.0 mt-10 -90.86 161.66 15.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.763 0.316 . . . . 0.0 110.309 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.504 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.4 tp -117.88 116.91 27.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.865 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.58 ' HG1' ' HB1' ' A' ' 17' ' ' ALA . 22.3 m -75.19 117.74 17.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.666 HG23 HD23 ' A' ' 47' ' ' LEU . 31.5 pt -133.47 161.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.425 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -113.95 158.97 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.132 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -66.95 117.85 9.6 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.866 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.88 -0.17 30.28 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 140.98 38.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.815 0.34 . . . . 0.0 110.36 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -85.54 132.95 34.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.982 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 45' ' ' CYS . 10.4 m -133.21 149.95 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.472 ' CD2' HG22 ' A' ' 48' ' ' VAL . 37.7 m-85 -97.15 135.93 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 168.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.48 ' CG2' ' HB3' ' A' ' 36' ' ' ASP . 30.1 mt -94.9 107.99 20.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -76.38 -78.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.611 ' H ' ' HB2' ' A' ' 44' ' ' MET . 17.4 t70 -93.9 106.74 18.69 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.48 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 7.2 p-10 -123.87 4.89 8.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.549 175.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.51 -62.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.997 -172.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -78.33 -49.11 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -80.36 131.41 35.62 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -115.44 -25.45 7.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.237 0.541 . . . . 0.0 110.169 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.685 ' HA ' HD21 ' B' ' 8' ' ' LEU . 3.2 m-20 -79.11 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.079 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -125.35 151.62 45.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.382 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.2 m0 -123.18 149.33 44.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.774 0.321 . . . . 0.0 110.293 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.611 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 73.1 mtp -87.89 129.29 35.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.483 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 87.2 m -138.47 159.3 42.43 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.72 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -132.84 125.2 29.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.834 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.666 HD23 HG23 ' A' ' 25' ' ' ILE . 97.5 mt -61.18 126.61 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.528 0.518 . . . . 0.0 110.509 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 HG22 ' CD2' ' A' ' 32' ' ' TYR . 90.1 t -67.43 -34.49 68.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 110.79 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.675 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 p -86.46 -31.14 21.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -172.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 15.52 52.94 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.433 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.511 ' HB2' HD13 ' A' ' 47' ' ' LEU . 29.6 mtpp -83.5 133.01 34.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 t -117.26 157.98 25.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.758 0.313 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.504 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 171.88 -173.31 45.06 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.183 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.88 137.14 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.77 148.91 67.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.363 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.497 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 23.6 Cg_exo -64.46 131.39 29.71 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.458 2.105 . . . . 0.0 111.851 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.84 -14.98 63.3 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.483 ' CD ' ' HA ' ' B' ' 8' ' ' LEU . 38.2 mt-30 -78.73 -9.23 59.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 111.045 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 13' ' ' TYR . 29.9 m-85 -105.3 -13.76 15.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.607 -174.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mm -106.11 129.37 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.735 ' HG3' HE21 ' A' ' 12' ' ' GLN . 6.3 mm-40 -109.21 104.94 56.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.062 172.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.52 135.84 72.24 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.618 2.212 . . . . 0.0 111.628 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.489 HG21 HG13 ' A' ' 10' ' ' ILE . 4.8 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.588 0.709 . . . . 0.0 111.671 -171.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.723 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 121.63 0.728 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -103.91 130.07 51.48 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.243 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.542 HD12 HD13 ' B' ' 67' ' ' LEU . 31.2 pt -117.34 148.58 20.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.918 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.01 100.36 11.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.916 0.388 . . . . 0.0 110.445 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.7 t -83.38 97.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.436 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -92.51 101.98 14.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.589 HG21 HD22 ' B' ' 69' ' ' LEU . 61.5 p -70.98 165.17 23.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.129 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.685 HD21 ' HA ' ' A' ' 41' ' ' ASP . 5.7 tt -62.82 -31.73 72.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.868 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.1 p -70.3 -27.59 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.761 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.65 -2.57 11.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.672 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -76.68 122.55 24.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -103.66 93.3 4.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -93.92 125.24 46.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.593 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -89.43 112.04 23.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.901 0.381 . . . . 0.0 109.976 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.3 128.64 54.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.421 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.17 106.42 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.622 173.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.17 -175.15 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.464 -175.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -123.06 156.22 35.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.42 ' HA ' ' HE2' ' B' ' 1' ' ' MET . 4.8 m -65.88 -35.12 79.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.486 . . . . 0.0 110.624 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -89.15 8.09 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.737 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.24 136.96 36.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 62.8 p -81.3 151.3 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 0.0 111.741 -173.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.635 HD13 HD22 ' B' ' 50' ' ' LEU . 42.6 mm -55.5 -34.45 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.41 -39.69 85.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.479 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 31.6 t-20 -70.49 -34.89 72.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.856 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.521 HG21 ' O ' ' B' ' 22' ' ' THR . 24.6 t -67.67 -38.67 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -57.66 -45.67 85.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.095 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.2 p -68.56 -33.99 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 63.2 mttp -59.49 -45.27 92.17 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.62 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.0 mt -67.95 -39.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.618 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.81 -30.81 70.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.3 -24.12 64.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.51 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -87.12 -69.79 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -104.06 6.14 35.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.65 26.74 73.57 Favored Glycine 0 CA--C 1.516 0.112 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.96 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -76.7 118.25 70.38 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.854 -0.203 . . . . 0.0 110.828 -177.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.427 ' HD2' ' NE2' ' B' ' 40' ' ' GLN . 51.0 Cg_exo -54.6 134.0 59.79 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.016 2.478 . . . . 0.0 112.446 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -58.94 -36.17 97.32 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.414 2.742 . . . . 0.0 113.264 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.85 -33.39 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.217 0.532 . . . . 0.0 110.978 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.427 ' NE2' ' HD2' ' B' ' 37' ' ' PRO . 7.3 tt0 -74.46 -26.85 60.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -77.94 120.06 22.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.96 -175.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -125.36 114.31 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.12 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.411 ' HB3' HD23 ' B' ' 50' ' ' LEU . 98.8 mt -88.43 127.82 35.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.57 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.524 HD12 HG23 ' B' ' 70' ' ' VAL . 73.2 mt -117.5 119.02 60.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.41 177.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.436 ' HD2' ' HD2' ' B' ' 48' ' ' LYS . 61.3 t80 -107.65 97.48 7.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.157 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.37 19.49 7.75 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.976 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.59 -18.69 11.74 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.166 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.436 ' HD2' ' HD2' ' B' ' 45' ' ' PHE . 62.1 mttm -75.7 133.79 40.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.654 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -88.32 116.42 26.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.217 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.635 HD22 HD13 ' B' ' 23' ' ' ILE . 10.9 mp -87.65 110.79 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.355 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -85.85 141.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.368 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.543 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -80.2 117.21 20.79 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.526 0.679 . . . . 0.0 110.162 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -34.67 1.9 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -87.42 177.15 7.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.1 p -104.56 178.68 4.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.768 0.318 . . . . 0.0 110.778 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.694 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 85.7 mt -71.12 -28.55 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.387 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -66.53 -27.22 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.69 -23.31 67.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.451 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -121.71 19.01 11.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.684 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 m120 62.08 30.71 17.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.756 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.694 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 70.9 mt -78.28 102.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.298 0.571 . . . . 0.0 110.578 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.44 -172.06 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.407 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.723 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 12.3 ptmm? -71.62 144.92 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 67.21 17.57 10.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.715 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -78.17 139.76 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 m -93.89 102.62 14.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.08 0.467 . . . . 0.0 111.334 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.542 HD13 HD12 ' B' ' 3' ' ' ILE . 85.4 mt -92.05 117.94 30.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.469 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -81.82 115.51 21.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.589 HD22 HG21 ' B' ' 7' ' ' THR . 58.6 tp -88.76 94.94 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.627 HG12 HD11 ' B' ' 8' ' ' LEU . 31.4 t -95.51 120.61 45.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.349 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.62 132.84 34.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -75.79 150.16 37.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 -176.146 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.643 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 39.1 mttp . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.529 ' O ' HG22 ' A' ' 64' ' ' VAL . 22.1 mtm180 -126.93 159.59 33.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.731 -0.388 . . . . 0.0 109.96 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.79 165.85 35.9 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.37 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mt -120.83 124.27 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 3.2 p -72.23 126.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.388 0.613 . . . . 0.0 111.585 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -80.85 -60.35 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.476 -175.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.402 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 92.0 m-85 -84.23 -179.91 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -112.65 108.69 17.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.652 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 83.7 t80 -109.28 119.31 39.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 112.037 -171.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.433 ' HA ' HG22 ' A' ' 24' ' ' THR . 86.7 mmm -93.01 129.67 38.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.72 173.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.579 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -103.61 154.24 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.779 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.46 -42.12 2.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 110.279 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -87.77 159.36 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.213 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER -73.92 -19.62 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -178.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.1 -38.36 88.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.23 0.538 . . . . 0.0 109.957 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.579 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 27.4 mt-10 -83.22 161.35 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.816 -173.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD23 ' HG ' ' A' ' 47' ' ' LEU . 62.7 tp -123.73 122.33 37.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.845 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 16' ' ' MET . 25.3 m -71.94 110.5 6.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.247 177.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.534 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.3 pt -120.09 123.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.507 . . . . 0.0 111.268 -174.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HG3' ' HB2' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -84.33 144.6 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.376 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 t -55.76 128.48 35.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.491 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 12.08 68.25 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.62 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.467 ' HB2' ' HG3' ' A' ' 26' ' ' LYS . 3.9 t70 -84.92 -178.51 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.525 0.663 . . . . 0.0 110.721 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -113.68 118.39 34.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.735 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.619 HG22 HD12 ' A' ' 61' ' ' ILE . 24.5 m -127.15 141.29 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.401 0.62 . . . . 0.0 112.434 -176.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -82.72 143.96 30.55 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.261 170.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.643 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 59.4 mt -105.13 109.02 26.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.185 0.517 . . . . 0.0 109.857 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -82.59 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.741 -177.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' H ' ' HB2' ' A' ' 44' ' ' MET . 9.6 t0 -134.79 110.03 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.561 177.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -97.3 22.46 8.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 0.0 111.843 -175.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.2 21.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.821 0.819 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.976 ' HZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -65.63 -49.5 68.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.344 -173.385 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -127.73 17.1 6.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.111 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp 67.23 -64.96 0.24 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.776 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.31 -29.93 48.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.334 0.588 . . . . 0.0 110.409 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -121.75 135.72 54.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.382 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.467 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 46.0 m0 -115.05 167.17 11.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.883 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.496 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 63.2 mmm -98.3 118.92 36.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.0 m -135.55 157.43 46.9 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.893 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.498 HE21 ' HA2' ' A' ' 51' ' ' GLY . 48.0 tt0 -132.47 128.78 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.949 -176.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 HD22 HG13 ' A' ' 31' ' ' VAL . 96.3 mt -65.46 118.65 9.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.04 -39.51 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 123.387 0.429 . . . . 0.0 111.892 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -69.81 -54.99 11.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 t -90.21 -27.81 19.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.767 -171.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.498 ' HA2' HE21 ' A' ' 46' ' ' GLN . . . 94.83 0.58 64.0 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.221 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.05 120.72 14.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.424 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 4.5 p -119.93 148.93 42.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.861 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.38 -170.78 40.94 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.343 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.1 mm? -85.9 131.95 34.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.487 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.0 m -131.03 153.29 81.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.121 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.522 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 17.2 Cg_exo -67.16 140.27 53.24 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.487 2.125 . . . . 0.0 111.991 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -45.68 81.09 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.527 ' OE1' ' HG ' ' B' ' 8' ' ' LEU . 1.6 mp0 -74.15 14.02 0.48 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.652 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 5.6 m-85 -105.72 -25.77 12.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.619 HD12 HG22 ' A' ' 31' ' ' VAL . 36.8 mm -103.0 107.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.96 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.37 134.85 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.412 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -77.36 127.74 9.23 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.58 2.187 . . . . 0.0 110.9 171.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 8' ' ' ARG . 6.8 m . . . . . 0 C--N 1.321 -0.657 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.456 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.8 ptt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.059 0.457 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.69 127.97 33.91 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.543 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -118.94 135.54 59.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.09 110.43 21.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.39 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.439 ' HB ' HG13 ' B' ' 13' ' ' ILE . 44.5 t -82.42 98.34 4.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.282 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 74.2 tttt -100.68 101.3 12.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.21 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.543 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 71.1 p -78.27 173.61 12.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.959 -170.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.527 ' HG ' ' OE1' ' A' ' 59' ' ' GLN . 2.0 tt -76.31 -14.76 60.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.943 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -89.86 -5.15 57.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.745 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.85 10.95 51.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.217 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 42.7 mmtm -84.01 142.71 30.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -133.79 93.37 3.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.861 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.439 HG13 ' HB ' ' B' ' 5' ' ' VAL . 9.7 pt -108.81 150.91 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.173 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.9 m -95.67 126.09 40.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' B' ' 29' ' ' LYS . 17.7 tp -118.54 126.06 51.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.812 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -86.14 106.74 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.403 HG12 ' CD ' ' B' ' 29' ' ' LYS . 33.5 m -125.6 144.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.497 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.477 ' O ' HD12 ' B' ' 56' ' ' LEU . 31.0 tt0 -87.24 153.18 21.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.89 -17.56 64.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.007 0.432 . . . . 0.0 110.72 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.54 -4.57 50.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.9 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.39 142.98 57.41 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.002 0.429 . . . . 0.0 110.797 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 59.8 p -88.38 158.27 18.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.992 175.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.7 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.7 mm -62.02 -32.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.0 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 4.6 p-10 -69.95 -30.77 68.23 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.633 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 41.1 t-20 -71.53 -43.21 66.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.505 HG22 HD22 ' B' ' 56' ' ' LEU . 47.5 t -60.77 -41.68 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.401 177.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 91.9 mttt -56.39 -44.71 80.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.139 0.495 . . . . 0.0 110.376 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.2 m -68.96 -29.08 67.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 53.8 mttm -65.6 -38.63 90.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.913 0.387 . . . . 0.0 110.097 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.46 -31.68 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.965 177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.418 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.41 0.624 . . . . 0.0 109.562 173.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.26 -34.52 74.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.035 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.72 -70.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.957 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -97.81 -10.65 24.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -171.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.83 39.39 24.7 Favored Glycine 0 C--O 1.23 -0.144 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.657 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.0 mt -101.92 129.5 26.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -57.34 131.05 42.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.98 2.453 . . . . 0.0 112.599 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.485 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 48.6 Cg_exo -56.75 -44.14 47.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.064 2.509 . . . . 0.0 112.949 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -72.98 -9.06 58.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.909 -176.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 19.1 tt0 -97.48 -9.35 27.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 110.279 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -100.95 127.56 47.38 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.941 -0.474 . . . . 0.0 111.863 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -117.66 112.72 20.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.559 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 96.5 mt -88.9 125.56 35.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 3.2 mp -112.07 124.33 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.445 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -122.68 112.98 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.011 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.62 16.65 6.75 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.072 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 -12.18 46.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.304 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -94.57 138.36 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -86.17 136.54 33.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.237 -177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.627 HD23 HD11 ' B' ' 23' ' ' ILE . 9.3 mp -95.17 102.63 14.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.25 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -80.5 136.49 36.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.7 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.8 p-10 -72.18 135.77 46.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.374 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.79 -44.25 1.2 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -90.32 175.43 7.11 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 72.7 p -96.11 171.51 8.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 111.184 -176.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.505 HD22 HG22 ' B' ' 26' ' ' VAL . 95.7 mt -64.8 -28.84 69.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.187 174.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -66.18 -39.64 89.88 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.573 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -59.58 -39.19 83.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -88.73 4.04 48.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.05 43.09 11.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.828 0.705 . . . . 0.0 111.229 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.515 HD12 HD22 ' B' ' 50' ' ' LEU . 67.9 mt -81.62 132.62 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.593 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -98.91 174.15 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.456 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 63.6 mmtt -69.98 147.29 50.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.547 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 64.17 27.42 14.0 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 110.633 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.5 p -78.47 163.48 25.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.471 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.0 m -123.85 118.14 26.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.748 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.42 143.78 35.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.1 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.482 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 91.7 m-70 -100.65 130.32 46.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.831 0.348 . . . . 0.0 110.249 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.543 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 61.1 tp -98.31 108.19 20.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.412 HG21 HD13 ' B' ' 8' ' ' LEU . 67.4 t -108.64 129.48 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.93 149.62 25.51 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.7 0.762 . . . . 0.0 112.319 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -84.09 144.87 28.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.45 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 120.881 0.372 . . . . 0.0 111.731 -175.213 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.737 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 2.6 mmtp . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -129.05 123.86 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.265 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.56 167.11 29.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.008 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -118.7 129.82 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 13' ' ' TYR . 4.9 p -75.49 121.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.321 0.581 . . . . 0.0 110.05 175.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.27 -31.59 49.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' O ' HG21 ' A' ' 11' ' ' VAL . 4.4 m-85 -111.8 -177.46 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.797 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.515 ' O ' ' HA2' ' B' ' 47' ' ' GLY . 8.1 m-20 -96.47 160.9 14.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 171.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.454 ' HB3' HG12 ' A' ' 25' ' ' ILE . 65.7 t80 -149.24 102.56 3.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.153 0.501 . . . . 0.0 110.668 174.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mtt -83.4 110.98 18.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.765 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -89.17 150.69 22.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.953 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -130.69 -21.19 2.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.169 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.724 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 22.9 m -89.81 152.29 21.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -73.14 -23.02 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -80.68 -14.4 58.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.801 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.724 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 59.2 mt-10 -86.61 177.2 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.65 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 46.7 tp -136.17 114.59 11.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -70.8 103.3 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.672 HG22 HD23 ' A' ' 47' ' ' LEU . 22.3 pt -117.88 156.58 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -119.48 154.7 33.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.31 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 p -59.71 116.64 4.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.043 0.449 . . . . 0.0 110.871 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.06 -0.35 29.98 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.94 133.1 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -86.4 125.82 33.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.583 HG11 HD21 ' A' ' 47' ' ' LEU . 18.5 m -133.32 151.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.37 0.605 . . . . 0.0 112.184 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CE2' HG21 ' A' ' 48' ' ' VAL . 48.5 m-85 -101.13 135.72 42.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.089 171.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.737 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 mt -94.63 115.28 33.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.591 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 58.3 mt -74.83 -48.18 26.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.558 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -142.44 122.58 13.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.986 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 33' ' ' ILE . 6.6 p-10 -126.55 12.53 7.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.818 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -109.66 -55.08 2.48 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.775 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -74.17 -48.47 29.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -95.13 102.48 14.29 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.879 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -98.71 -25.46 14.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.645 ' HB2' HD11 ' B' ' 73' ' ' LEU . 4.9 m-20 -84.9 -41.27 16.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.965 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -124.65 122.35 37.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.206 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -95.49 142.48 27.79 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.879 0.371 . . . . 0.0 110.624 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.462 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -86.07 102.78 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.5 m -109.37 144.36 37.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 63.9 tt0 -120.39 126.55 50.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.803 178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.672 HD23 HG22 ' A' ' 25' ' ' ILE . 95.0 mt -68.34 136.33 53.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.118 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.516 HG21 ' CE2' ' A' ' 32' ' ' TYR . 72.9 t -76.14 -23.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.456 0.646 . . . . 0.0 109.455 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.85 -71.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.632 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 p -97.83 -26.35 14.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.876 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.33 6.04 58.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.165 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -78.63 143.76 36.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.697 0.284 . . . . 0.0 110.337 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 21.6 p -120.01 156.02 31.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.912 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.65 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -172.35 176.86 45.23 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.721 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.55 131.84 36.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.681 0.277 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 25' ' ' ILE . 33.9 m -136.91 156.24 75.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.333 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 56' ' ' VAL . 11.5 Cg_endo -56.42 133.21 56.6 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.957 2.438 . . . . 0.0 112.797 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.96 61.56 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -173.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 7.1 pt20 -72.74 12.01 0.57 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -171.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.416 ' HB3' HG23 ' A' ' 11' ' ' VAL . 3.0 m-85 -96.15 -14.8 22.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.572 0.225 . . . . 0.0 110.698 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.99 126.01 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.122 0.487 . . . . 0.0 111.843 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -112.57 108.98 53.76 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.521 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.1 136.66 70.48 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.922 2.415 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.123 0.487 . . . . 0.0 111.286 -177.221 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.58 ' SD ' ' HD2' ' B' ' 63' ' ' LYS . 16.3 ptt? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.763 0.792 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -105.13 130.26 53.35 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.008 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 pt -127.13 151.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.547 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -101.56 105.52 16.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.314 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -87.88 98.14 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.16 0.505 . . . . 0.0 110.148 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 24.6 ttmm -87.98 112.57 22.72 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.86 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.561 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 49.7 p -71.21 172.83 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.021 0.438 . . . . 0.0 111.549 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.494 HD13 HG13 ' B' ' 70' ' ' VAL . 9.3 tt -63.2 -36.14 82.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.943 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -78.23 -30.47 48.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.505 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.41 -37.25 1.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.692 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -48.1 115.24 1.12 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.022 0.439 . . . . 0.0 111.423 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 14.4 m -103.6 113.16 26.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.406 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.05 130.87 49.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.695 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -85.85 113.77 22.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.64 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -105.93 136.25 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 111.613 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.92 101.4 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.306 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.413 HG11 HG21 ' B' ' 26' ' ' VAL . 27.2 m -139.03 143.94 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.984 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -82.18 167.6 18.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 111.228 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -64.63 -30.23 71.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.278 0.561 . . . . 0.0 110.605 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -90.34 9.88 27.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.199 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.01 141.22 36.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.456 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.6 p -86.98 151.8 22.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.974 -176.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.1 mm -56.48 -35.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.742 ' HA ' ' HG2' ' B' ' 27' ' ' LYS . 20.5 t70 -69.73 -35.98 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 3.8 t-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.709 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.472 HG22 HD11 ' B' ' 56' ' ' LEU . 58.6 t -63.11 -51.97 64.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.159 173.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.742 ' HG2' ' HA ' ' B' ' 24' ' ' ASP . 19.7 ptpt -63.33 -29.13 70.49 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.528 ' HA ' ' CD ' ' B' ' 31' ' ' GLN . 28.9 t -66.9 -38.37 86.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.462 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.6 mttp -64.02 -32.89 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' B' ' 27' ' ' LYS . 59.0 mt -69.02 -39.47 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.403 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.656 ' CD ' ' HG3' ' B' ' 38' ' ' PRO . 28.4 mt-30 -65.65 -27.73 68.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.181 0.515 . . . . 0.0 110.09 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.57 -33.57 76.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.011 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.64 -64.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.294 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -172.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 49.51 4.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.551 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 58.4 mt -106.8 131.49 21.66 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -37.37 121.44 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.751 2.967 . . . . 0.0 113.202 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.656 ' HG3' ' CD ' ' B' ' 31' ' ' GLN . 52.9 Cg_exo -56.01 -46.4 31.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.999 2.466 . . . . 0.0 113.298 -176.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.7 -25.51 67.46 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -82.68 -28.99 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.973 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.551 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 27.2 mt-30 -79.59 109.62 14.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 111.399 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.706 ' HG3' ' HD3' ' B' ' 72' ' ' ARG . 3.4 mmp_? -112.98 122.11 46.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' B' ' 50' ' ' LEU . 96.6 mt -91.88 127.93 37.53 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.29 125.46 61.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.438 ' HB3' HD21 ' B' ' 50' ' ' LEU . 73.0 t80 -121.35 109.68 15.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.327 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.42 19.79 9.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.038 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.515 ' HA2' ' O ' ' A' ' 14' ' ' ASP . . . 110.58 -17.34 28.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.636 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -87.54 123.06 32.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.62 115.69 20.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.326 0.584 . . . . 0.0 109.561 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.54 HD23 ' CG ' ' B' ' 59' ' ' TYR . 13.8 mt -81.72 129.0 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.556 -174.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.525 ' HA ' ' NH2' ' B' ' 42' ' ' ARG . 30.6 mt-10 -100.16 -179.75 4.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.203 0.525 . . . . 0.0 110.978 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.431 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 2.5 m-20 -84.59 151.39 24.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.895 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.04 -45.07 1.37 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.619 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -82.89 169.06 16.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 0.0 111.22 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.2 p -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.472 HD11 HG22 ' B' ' 26' ' ' VAL . 10.5 mp -65.73 -32.5 74.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.543 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.7 m -65.95 -38.35 88.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.576 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.28 -35.98 82.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.781 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.54 ' CG ' HD23 ' B' ' 50' ' ' LEU . 63.3 m-85 -94.8 -0.84 53.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m120 61.44 41.01 13.29 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.9 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -71.56 117.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.901 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.76 172.07 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.046 -172.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.58 ' HD2' ' SD ' ' B' ' 1' ' ' MET . 12.7 mmmm -59.86 134.51 57.1 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.679 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 60.95 26.53 16.45 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.654 0.597 . . . . 0.0 111.409 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -71.73 158.21 36.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.146 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.5 m -112.76 104.69 12.72 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.168 0.509 . . . . 0.0 110.414 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.18 145.08 27.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.395 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -107.01 114.81 29.11 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.561 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 65.8 tp -92.31 113.88 26.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.12 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.494 HG13 HD13 ' B' ' 8' ' ' LEU . 47.9 t -116.21 129.87 71.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.68 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.05 145.19 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.706 ' HD3' ' HG3' ' B' ' 42' ' ' ARG . 26.4 mmm180 -80.06 -9.1 59.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.312 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 41' ' ' ASP . 84.1 mt . . . . . 0 N--CA 1.471 0.578 0 C-N-CA 123.161 0.584 . . . . 0.0 112.504 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.676 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 97.5 mttt . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -125.58 144.99 50.32 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.25 175.55 33.91 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.346 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -126.55 130.23 71.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.452 HG21 ' HB ' ' A' ' 25' ' ' ILE . 2.4 p -79.85 124.87 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.01 0.434 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -98.98 -25.95 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.166 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' HB2' ' CG ' ' A' ' 60' ' ' PHE . 97.6 m-85 -115.77 144.87 43.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 0.0 110.51 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -79.0 142.66 36.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.512 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 88.4 t80 -148.11 135.0 20.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.747 0.308 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.618 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.8 ptp -107.81 127.97 54.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.918 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -89.99 144.0 26.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.279 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -102.03 -20.32 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -115.63 165.69 12.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.65 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -75.18 -24.67 57.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -81.94 -12.05 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 110.537 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 53.8 mt-10 -96.67 151.99 19.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.405 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.641 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 55.8 tp -117.52 128.02 54.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 111.473 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.618 HG23 ' HA ' ' A' ' 16' ' ' MET . 86.4 m -77.57 115.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.944 173.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.512 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 10.8 pt -110.2 157.3 10.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.309 0.576 . . . . 0.0 111.62 -175.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -130.87 131.07 44.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.385 -175.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -57.16 124.85 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.853 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.78 -9.07 43.72 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.97 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.42 155.08 24.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -92.49 130.18 38.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.347 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.616 HG11 HD23 ' A' ' 47' ' ' LEU . 35.3 m -127.48 150.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.308 0.575 . . . . 0.0 112.003 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -95.63 140.29 30.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.234 168.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.676 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 46.4 mt -105.46 113.33 42.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 34' ' ' LEU . 2.4 mm? -94.07 -77.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.577 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 4.5 m-20 -102.04 95.0 6.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.279 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 9.2 p-10 -105.81 -36.32 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.809 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.14 2.81 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.104 0.478 . . . . 0.0 110.825 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 28.5 mmtp -78.03 -48.64 15.68 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.6 m -125.44 171.3 10.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -111.69 15.35 21.04 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.821 ' HA ' HD22 ' B' ' 8' ' ' LEU . 1.1 p-10 -140.7 -71.46 0.37 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.549 -165.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -108.66 124.63 50.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -105.07 150.4 25.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.201 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.577 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 34.0 mtp -87.34 119.7 27.88 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.9 p -132.43 162.35 31.37 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.777 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -133.03 127.04 33.23 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.853 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.616 HD23 HG11 ' A' ' 31' ' ' VAL . 73.5 mt -63.05 118.36 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.88 -43.03 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.72 -11.81 58.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -171.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 p -119.82 -38.22 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.875 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 6.35 56.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.083 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -84.55 124.73 31.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.799 0.333 . . . . 0.0 110.644 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 5.6 p -114.89 157.57 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.566 -175.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.641 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 174.06 -178.85 45.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.079 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.6 mt -89.07 134.87 33.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.696 0.284 . . . . 0.0 110.999 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.61 158.21 73.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.405 ' HB3' HG23 ' B' ' 70' ' ' VAL . 25.6 Cg_exo -63.76 127.21 19.08 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.746 2.297 . . . . 0.0 112.15 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.78 -33.25 64.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.427 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.47 0.38 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.085 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.694 ' HZ ' HG23 ' B' ' 44' ' ' ILE . 7.3 m-30 -107.61 -7.72 16.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.631 0.253 . . . . 0.0 111.421 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.525 HD11 HG21 ' A' ' 31' ' ' VAL . 50.9 mm -110.23 126.85 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 0.0 111.574 -174.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -104.66 105.89 52.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.762 172.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -71.67 130.13 16.59 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 111.921 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 121.655 0.74 . . . . 0.0 110.916 -176.454 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.289 0.566 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.54 147.33 47.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.42 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.5 pt -132.36 136.77 55.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 53.9 m-85 -90.45 95.68 10.29 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.5 t -80.31 100.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.765 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.5 ttmt -97.3 106.03 18.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.802 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.613 HG22 HD21 ' B' ' 69' ' ' LEU . 43.7 p -79.26 160.66 26.75 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.234 -176.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 41' ' ' ASP . 1.1 pp -67.72 -10.42 52.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.833 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.19 -13.42 59.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.335 177.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.0 14.85 38.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.065 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.99 115.61 30.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.686 0.279 . . . . 0.0 110.838 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 15.0 m -102.27 93.47 5.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -100.73 124.23 54.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.58 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -80.1 112.21 17.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.032 0.444 . . . . 0.0 110.141 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -98.2 133.61 42.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.33 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.4 107.46 15.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.75 176.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.85 -175.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.451 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 9.2 tp10 -123.49 156.38 35.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -61.44 -42.79 99.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.304 0.573 . . . . 0.0 109.711 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -88.16 20.8 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.786 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 17.9 t0 -91.05 134.83 34.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.463 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.5 p -74.2 148.66 41.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.593 HG23 ' HE3' ' B' ' 27' ' ' LYS . 31.0 mm -55.18 -42.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.276 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -42.9 84.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.514 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -68.08 -38.58 82.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 22' ' ' THR . 49.1 t -60.53 -44.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.07 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.65 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 95.1 mttt -59.37 -36.78 76.38 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -29.91 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.878 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.43 -24.73 60.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.98 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 26' ' ' VAL . 24.1 mm -71.93 -44.02 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.56 -33.96 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.248 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.89 -32.73 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.631 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -110.48 -63.53 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.854 -173.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -75.36 -22.78 57.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.261 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 45.1 26.95 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.128 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.767 HD13 HD23 ' B' ' 71' ' ' LEU . 66.4 mt -111.38 134.36 21.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.422 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 55.6 Cg_exo -52.93 121.28 9.03 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.664 2.243 . . . . 0.0 111.632 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.65 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 49.9 Cg_exo -56.4 -43.55 54.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.126 2.551 . . . . 0.0 113.248 -175.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.58 -2.15 31.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 0.0 111.475 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -95.26 -9.73 32.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.346 0.594 . . . . 0.0 109.748 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.517 ' HB3' HD11 ' B' ' 69' ' ' LEU . 47.2 mt-30 -99.19 144.04 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.236 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.401 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 98.8 mtt180 -131.89 124.56 29.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.251 173.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.34 126.58 41.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.025 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.694 HG23 ' HZ ' ' A' ' 60' ' ' PHE . 54.5 mt -117.27 126.2 74.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.954 0.407 . . . . 0.0 110.632 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -129.53 109.65 11.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.293 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.72 22.74 13.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.723 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.5 -15.74 49.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.033 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -82.54 111.86 18.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.679 0.276 . . . . 0.0 110.369 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 22.8 tt0 -80.92 113.38 19.09 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.555 HD13 HD11 ' B' ' 23' ' ' ILE . 49.1 mt -69.3 123.6 21.62 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.95 -85.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.501 -173.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -179.07 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.57 0.224 . . . . 0.0 110.71 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.41 39.39 3.1 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.342 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.468 ' O ' HG12 ' B' ' 23' ' ' ILE . 3.5 mmp_? -133.45 168.82 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -103.71 172.19 6.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.1 -22.9 62.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.05 0.452 . . . . 0.0 110.488 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.0 m -67.24 -31.53 71.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.96 176.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.64 -43.54 84.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.606 -176.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -85.31 -2.41 58.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.208 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 59.92 59.17 2.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.407 HD11 HD21 ' B' ' 50' ' ' LEU . 67.9 mt -92.93 127.78 44.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -68.09 145.82 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.419 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 22.4 pttp -76.15 160.25 29.92 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.373 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.419 ' HG2' ' HG3' ' B' ' 63' ' ' LYS . 4.4 mm-40 58.54 36.99 25.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.38 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -103.19 157.41 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.297 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.457 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 27.1 m -101.88 112.56 25.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.793 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.25 148.88 24.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -95.58 123.41 39.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.613 HD21 HG22 ' B' ' 7' ' ' THR . 42.4 tp -95.36 119.84 34.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.573 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 57' ' ' PRO . 78.6 t -118.34 116.47 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.039 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.767 HD23 HD13 ' B' ' 36' ' ' ILE . 10.7 mp -81.66 143.8 31.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.335 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.684 ' HD3' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -86.74 -25.53 24.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.358 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.464 0.233 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.871 -176.762 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 95.4 mttt . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.922 0.391 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -117.91 147.57 43.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -146.65 157.8 27.52 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.699 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.554 HG13 HG23 ' A' ' 64' ' ' VAL . 87.0 mt -112.09 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.07 127.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.035 0.445 . . . . 0.0 110.648 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -85.51 -54.83 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.286 -176.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.409 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 95.2 m-85 -93.09 142.78 26.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.03 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.671 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 13.7 t70 -77.4 118.31 19.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.544 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 82.5 t80 -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 111.541 -173.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.423 ' HA ' HG21 ' A' ' 24' ' ' THR . 81.9 mtp -97.74 135.98 38.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.869 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -94.75 155.27 16.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.128 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -114.23 -42.84 3.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.655 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -104.13 167.82 9.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -72.45 -19.01 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.197 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.61 -30.56 67.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.543 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 30.4 mt-10 -88.8 178.4 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.63 -175.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD23 ' HG ' ' A' ' 47' ' ' LEU . 68.8 tp -137.83 130.66 29.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.815 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.423 HG21 ' HA ' ' A' ' 16' ' ' MET . 19.5 m -77.8 107.59 10.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.923 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.544 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 12.8 pt -111.24 122.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 110.869 -176.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -77.91 143.9 37.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.174 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.639 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 48.4 t -61.15 115.66 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.939 0.4 . . . . 0.0 110.592 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.19 6.47 61.53 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.742 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.65 -179.45 6.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.924 0.362 . . . . 0.0 110.65 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -113.65 120.93 42.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.659 HG21 HD13 ' A' ' 61' ' ' ILE . 29.7 m -125.58 144.5 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.245 0.545 . . . . 0.0 111.921 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.466 ' CE2' HG22 ' A' ' 48' ' ' VAL . 53.4 m-85 -92.96 130.58 38.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.362 170.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.574 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 55.5 mt -89.49 98.82 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -72.57 -64.34 0.98 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.174 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -119.39 123.27 43.72 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.864 0.364 . . . . 0.0 110.516 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.41 15.55 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.057 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -109.56 -42.78 4.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -170.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.95 -28.64 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 111.109 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -135.23 164.88 26.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.385 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.94 4.6 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.538 0.685 . . . . 0.0 109.775 173.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.23 -52.62 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.562 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -117.19 112.39 20.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.198 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 37.4 m0 -100.77 165.16 11.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.553 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.1 mtp -99.17 106.33 18.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.473 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 99.5 m -117.63 157.96 25.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.784 0.326 . . . . 0.0 110.775 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 35.2 tt0 -133.04 128.35 36.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.688 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.552 HD21 HG13 ' A' ' 31' ' ' VAL . 92.3 mt -67.17 125.91 27.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.921 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 HG22 ' CE2' ' A' ' 32' ' ' TYR . 61.8 t -64.39 -54.25 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 -175.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -72.74 -33.35 66.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.7 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.9 t -83.58 -48.84 9.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.044 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.7 53.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.248 -177.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.49 130.65 42.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.549 0.214 . . . . 0.0 110.609 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 6.0 p -115.73 144.12 44.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.903 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.64 43.23 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 95.9 mt -84.94 133.97 34.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.88 155.75 72.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.64 126.76 22.85 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.953 2.435 . . . . 0.0 112.32 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.388 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.493 HE22 HG22 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -78.46 -10.17 59.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.369 -177.058 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 13' ' ' TYR . 2.8 m-30 -90.16 -12.81 37.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.659 HD13 HG21 ' A' ' 31' ' ' VAL . 45.8 mm -108.09 122.04 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -111.26 107.2 57.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.429 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 46.3 Cg_exo -55.96 141.21 86.44 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.01 2.473 . . . . 0.0 112.85 -176.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.554 HG23 HG13 ' A' ' 10' ' ' ILE . 9.1 t . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.508 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.3 ptt? . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.267 0.556 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -129.43 141.56 51.01 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.721 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -129.9 164.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -111.72 107.08 16.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.58 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -92.04 93.86 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.258 0.551 . . . . 0.0 109.832 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 24.5 ttmm -91.53 108.55 19.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.989 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.567 HG21 HD21 ' B' ' 69' ' ' LEU . 46.9 p -73.04 167.83 20.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.298 0.571 . . . . 0.0 111.765 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.97 -29.69 70.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.589 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -79.92 3.11 20.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.082 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.73 20.91 58.9 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.986 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -103.12 112.85 25.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -90.38 101.28 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.574 . . . . 0.0 110.659 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.58 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 63.1 mt -89.13 120.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.1 m -87.89 111.87 21.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.64 HD13 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -119.55 128.46 53.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.307 -173.623 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.61 112.75 24.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.353 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.64 HG13 HD13 ' B' ' 15' ' ' LEU . 12.9 m -140.45 151.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.911 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.604 ' O ' HD13 ' B' ' 56' ' ' LEU . 40.6 mt-10 -66.22 150.45 48.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -177.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.43 ' HA ' ' HE2' ' B' ' 1' ' ' MET . 44.2 m -67.78 -17.08 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.141 0.496 . . . . 0.0 110.509 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -110.13 17.61 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.229 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -75.03 169.06 18.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.299 -177.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.536 ' O ' HG23 ' B' ' 26' ' ' VAL . 60.5 p -100.35 149.32 23.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.511 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.88 -32.43 49.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.302 0.572 . . . . 0.0 110.107 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.671 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 25.4 t70 -62.32 -46.69 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.857 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -63.48 -41.18 98.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.445 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.536 HG21 HG12 ' B' ' 17' ' ' VAL . 15.9 t -60.95 -46.68 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.76 -42.66 89.4 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.11 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -65.67 -34.63 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.431 -177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.98 -43.52 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.714 0.292 . . . . 0.0 110.781 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.438 HD11 HG21 ' B' ' 5' ' ' VAL . 71.2 mt -66.1 -34.7 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 0.0 109.863 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.02 -47.13 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.966 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.47 -29.13 65.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.092 0.472 . . . . 0.0 111.179 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -80.7 -60.51 2.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.653 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.27 -7.69 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.837 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 32.57 66.2 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.971 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.479 HG23 ' HG3' ' B' ' 41' ' ' GLN . 61.2 mt -103.27 120.36 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.66 0.266 . . . . 0.0 110.34 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 39.2 Cg_exo -60.74 137.75 75.01 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.86 2.373 . . . . 0.0 112.5 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 39.2 Cg_exo -61.34 -23.6 77.18 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.018 2.479 . . . . 0.0 112.007 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.73 -29.39 69.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.211 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 26.1 tt0 -96.34 -34.08 11.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.797 -175.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.479 ' HG3' HG23 ' B' ' 36' ' ' ILE . 34.9 mt-30 -62.06 117.0 5.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.181 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -118.0 98.67 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.606 HD21 HD13 ' B' ' 69' ' ' LEU . 94.0 mt -77.88 112.83 15.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.35 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mt -99.58 106.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.211 0.529 . . . . 0.0 111.129 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -108.87 118.44 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.453 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.93 29.43 18.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.941 0.401 . . . . 0.0 110.959 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.671 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 82.13 14.74 76.28 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.648 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -119.19 125.34 48.97 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -79.59 119.37 22.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.139 0.495 . . . . 0.0 111.043 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.453 HD23 ' CD2' ' B' ' 59' ' ' TYR . 23.5 mt -93.51 137.86 32.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.154 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -127.04 170.43 12.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.671 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -67.77 167.24 13.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.252 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.71 -43.48 2.75 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -79.57 156.9 27.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 110.454 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 32.3 p -102.71 164.85 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.604 HD13 ' O ' ' B' ' 18' ' ' GLU . 70.7 mt -63.95 -27.37 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.586 177.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 28.5 t -74.65 -26.09 59.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.117 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.93 -30.64 65.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -175.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.453 ' CD2' HD23 ' B' ' 50' ' ' LEU . 71.7 m-85 -95.15 7.98 44.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 59.87 39.54 20.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.49 129.01 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.945 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -101.31 -174.77 2.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.194 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.508 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 34.2 mmtp -67.02 147.87 52.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.299 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 42.95 43.52 3.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.237 1.015 . . . . 0.0 113.439 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -86.12 146.47 26.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.984 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -98.7 103.7 15.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.234 0.54 . . . . 0.0 111.095 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.4 HD11 ' N ' ' B' ' 67' ' ' LEU . 6.6 mp -88.52 150.23 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.735 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.534 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 62.5 m-70 -103.82 117.7 34.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.606 HD13 HD21 ' B' ' 43' ' ' LEU . 57.5 tp -88.28 100.84 13.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.231 0.538 . . . . 0.0 110.445 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.493 HG22 HE22 ' A' ' 59' ' ' GLN . 59.9 t -95.18 136.63 25.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.454 HD12 HE21 ' B' ' 40' ' ' GLN . 3.3 mm? -96.57 130.36 43.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.263 0.554 . . . . 0.0 111.187 -173.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.474 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 62.7 ttt180 -68.12 123.61 21.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.671 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.838 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.809 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -111.13 145.71 38.13 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.2 147.04 18.96 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.462 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.474 HG13 HG22 ' A' ' 64' ' ' VAL . 75.7 mt -111.69 107.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.549 HG22 HD12 ' A' ' 25' ' ' ILE . 3.2 p -71.3 128.89 34.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.132 0.492 . . . . 0.0 110.78 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -95.84 -17.22 21.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.793 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 60' ' ' PHE . 94.9 m-85 -110.73 175.75 5.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.367 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -113.39 115.74 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 86.7 t80 -124.2 104.61 8.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.061 0.458 . . . . 0.0 110.668 -177.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.632 ' HA ' HG22 ' A' ' 24' ' ' THR . 3.8 mpp? -88.11 116.08 26.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.736 175.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -65.44 135.45 55.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.817 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -94.89 -42.89 8.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -97.79 168.58 10.23 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.136 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -77.81 -20.09 53.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.25 -12.94 57.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.091 0.472 . . . . 0.0 110.862 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.6 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 41.8 mt-10 -91.35 161.78 14.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.505 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 37.8 tp -118.59 126.66 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 0.0 110.779 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.632 HG22 ' HA ' ' A' ' 16' ' ' MET . 30.7 m -75.2 111.62 10.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.549 HD12 HG22 ' A' ' 11' ' ' VAL . 12.5 pt -122.96 132.69 70.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.494 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 1.7 mppt? -109.85 147.58 33.07 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 p -52.71 118.47 3.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 0.0 111.619 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.65 30.83 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.732 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -67.43 131.88 46.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.015 0.436 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' O ' HG11 ' A' ' 48' ' ' VAL . 3.4 tppt? -82.77 124.34 30.17 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 171.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.524 ' HB ' ' HB3' ' A' ' 45' ' ' CYS . 16.2 m -124.81 144.11 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.1 0.476 . . . . 0.0 111.346 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.6 112.16 23.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.05 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.618 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 41.5 mt -82.95 104.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.971 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.84 -50.28 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.609 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.542 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 12.1 t70 -117.21 116.95 28.27 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.495 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.7 p-10 -131.85 2.18 4.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.315 1.01 . . . . 0.0 110.672 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -114.18 -37.89 4.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -75.67 -31.18 59.65 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.195 -174.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -113.84 152.89 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -125.1 11.98 8.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.95 -52.82 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.947 -175.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -124.62 121.39 34.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.053 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -102.44 163.74 12.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.747 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.542 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 33.1 mtp -101.94 112.79 25.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.524 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 88.5 m -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.073 0.463 . . . . 0.0 111.058 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 59.1 tt0 -117.55 128.7 55.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.711 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.519 HD21 HG11 ' A' ' 31' ' ' VAL . 96.4 mt -67.75 116.27 8.25 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.52 HG11 ' O ' ' A' ' 30' ' ' LYS . 10.3 p -67.2 -30.38 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.866 0.841 . . . . 0.0 110.04 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.79 -42.15 41.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.806 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 m -95.46 -39.39 10.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.94 48.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.01 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -87.78 147.43 25.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.5 m -112.56 147.1 37.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.832 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.505 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -162.25 177.85 38.27 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.508 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.35 134.15 34.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.6 m -136.27 151.0 72.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.14 124.48 14.93 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.872 2.381 . . . . 0.0 112.062 176.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.88 -36.08 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.726 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.67 -28.56 68.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.531 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.43 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 5.0 m-30 -84.29 -20.46 32.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 111.358 -172.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.8 mm -92.57 127.6 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -176.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -102.54 106.5 49.63 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.79 131.12 31.85 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.754 2.303 . . . . 0.0 112.491 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.474 HG22 HG13 ' A' ' 10' ' ' ILE . 14.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 122.051 0.929 . . . . 0.0 109.857 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.468 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 14.4 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.158 0.504 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.48 141.66 48.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.041 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.81 162.39 35.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.32 106.58 14.77 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.618 HG12 ' HB ' ' B' ' 13' ' ' ILE . 3.0 p -92.68 104.59 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.781 0.801 . . . . 0.0 110.086 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 52.1 tttm -99.98 112.87 25.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.412 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.553 HG21 HD21 ' B' ' 69' ' ' LEU . 68.8 p -69.82 169.12 13.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.136 0.493 . . . . 0.0 111.243 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.436 HD22 HG11 ' B' ' 70' ' ' VAL . 1.3 pp -72.48 -12.22 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.699 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -89.19 -19.52 25.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.332 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.32 9.45 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.655 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -94.51 103.2 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.928 0.394 . . . . 0.0 109.948 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 25.7 m -95.4 107.28 19.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.618 ' HB ' HG12 ' B' ' 5' ' ' VAL . 35.3 mt -97.8 130.0 47.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.3 m -82.26 111.03 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -114.46 121.57 43.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.668 -174.681 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -94.86 111.05 22.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.239 0.542 . . . . 0.0 110.365 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.606 HG11 HG21 ' B' ' 26' ' ' VAL . 2.8 m -141.81 140.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.696 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.411 ' O ' HD11 ' B' ' 56' ' ' LEU . 36.5 mm-40 -87.26 161.74 17.82 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -175.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -60.18 -22.46 62.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.125 0.488 . . . . 0.0 111.264 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.0 p -91.18 -5.56 54.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.758 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.05 152.42 27.89 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.27 0.557 . . . . 0.0 111.003 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.753 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.4 p -86.37 163.08 17.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.706 -178.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.422 HG13 ' HE2' ' B' ' 59' ' ' TYR . 47.4 mm -65.24 -29.62 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.04 -48.86 77.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.463 174.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.857 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.606 HG21 HG11 ' B' ' 17' ' ' VAL . 9.0 t -60.48 -46.85 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 89.6 mttt -59.24 -39.09 81.68 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.921 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.4 m -61.64 -41.88 98.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.734 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.506 ' HB2' HD11 ' B' ' 15' ' ' LEU . 98.6 mttt -71.67 -29.89 65.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.996 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 26' ' ' VAL . 71.9 mt -72.59 -37.7 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.054 0.454 . . . . 0.0 109.956 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.74 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.408 0.623 . . . . 0.0 109.53 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.82 -32.98 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.684 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -77.69 -69.45 0.54 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.661 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -92.35 -21.54 20.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.78 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.07 41.42 7.54 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.611 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.16 127.42 28.34 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 12.6 Cg_endo -56.89 127.14 24.63 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.619 2.212 . . . . 0.0 111.964 177.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.415 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 48.9 Cg_exo -57.89 -33.33 96.91 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.267 2.644 . . . . 0.0 112.321 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.36 -35.29 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.61 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.537 ' NE2' HD12 ' B' ' 71' ' ' LEU . 22.8 tt0 -87.52 -18.39 29.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.208 -173.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 65.3 mt-30 -78.88 116.91 19.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.747 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -118.65 108.49 14.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.403 HD11 ' N ' ' B' ' 43' ' ' LEU . 5.9 mp -89.52 108.26 19.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 -174.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.629 HG12 ' HG2' ' B' ' 49' ' ' GLN . 62.8 mt -99.41 117.62 44.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.098 0.475 . . . . 0.0 110.378 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 76.0 t80 -126.59 110.89 13.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.548 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 37.58 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.852 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.78 -8.83 79.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.834 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -98.13 125.26 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.913 0.387 . . . . 0.0 110.458 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.629 ' HG2' HG12 ' B' ' 44' ' ' ILE . 50.0 mt-30 -94.8 113.46 25.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.125 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.82 126.55 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.639 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -123.67 167.84 13.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.999 0.428 . . . . 0.0 110.731 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -70.08 152.12 44.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.0 7.03 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -101.28 164.75 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.753 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 60.9 p -105.56 179.91 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.411 HD11 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -68.27 -23.22 64.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 109.827 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -75.64 -37.13 59.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.237 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.72 -45.96 85.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.432 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.422 ' HE2' HG13 ' B' ' 23' ' ' ILE . 72.0 m-85 -86.49 -13.93 44.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 64.89 68.5 0.51 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.246 0.546 . . . . 0.0 110.791 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -103.71 145.42 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.583 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -106.0 166.89 10.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.795 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.468 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 20.1 pttp -80.72 155.8 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 60.1 29.35 18.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.969 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.472 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 19.4 p -89.36 156.65 18.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.403 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.1 m -106.16 103.21 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 111.218 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.45 HD11 ' N ' ' B' ' 67' ' ' LEU . 6.1 mp -89.64 153.08 21.02 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.491 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 79.8 m-70 -112.03 116.52 30.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.553 HD21 HG21 ' B' ' 7' ' ' THR . 43.2 tp -86.62 107.86 18.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 0.0 110.602 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.44 HG21 HD13 ' B' ' 44' ' ' ILE . 57.8 t -106.0 122.14 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.537 HD12 ' NE2' ' B' ' 40' ' ' GLN . 34.3 mt -89.63 147.89 23.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.905 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -88.77 -10.73 47.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.131 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 CA--C 1.532 0.274 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.674 177.055 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 68.0 mttm . . . . . 0 CA--C 1.518 -0.285 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -106.71 134.86 49.22 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.99 137.3 9.14 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.547 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.426 HG13 ' CG2' ' A' ' 64' ' ' VAL . 63.8 mt -111.68 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.59 126.86 30.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.287 0.565 . . . . 0.0 111.031 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -85.46 -53.6 5.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.973 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-85 -85.08 -169.62 2.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -105.45 144.1 32.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.427 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 72.0 t80 -140.82 124.48 16.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 176.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.9 mmt -106.69 128.92 54.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.22 119.56 19.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -90.75 -33.16 15.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.906 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 t -112.15 169.42 8.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -75.72 -13.27 60.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.221 0.534 . . . . 0.0 110.373 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -72.33 -37.65 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.039 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -78.79 -178.3 5.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.448 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.623 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 34.3 tp -140.66 129.85 23.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.295 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 m -73.25 107.91 5.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.241 0.543 . . . . 0.0 110.803 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.427 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 20.8 pt -122.15 120.87 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.02 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.2 154.08 18.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.279 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.0 t -57.83 115.91 3.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.6 1.54 29.14 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.305 -176.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.48 171.65 14.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.021 0.439 . . . . 0.0 110.549 177.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 48' ' ' VAL . 62.7 tttt -130.37 116.5 18.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.312 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.632 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 16.0 m -128.17 144.3 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.361 -174.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CE2' HG22 ' A' ' 48' ' ' VAL . 56.2 m-85 -95.06 135.2 36.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.385 170.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.669 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 48.7 mt -93.0 111.61 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.49 HD11 HE21 ' A' ' 46' ' ' GLN . 81.3 mt -81.9 -54.39 5.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.336 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.905 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.9 m-20 -120.63 106.43 11.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.59 -20.45 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.951 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.96 18.81 14.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.195 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.905 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 53.2 tttm -62.28 -45.6 92.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -125.0 -81.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.092 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -175.79 -54.67 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.921 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -97.21 -48.15 5.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.082 0.468 . . . . 0.0 110.202 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -71.96 109.61 5.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.202 0.525 . . . . 0.0 110.571 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 49.6 m0 -108.5 158.12 17.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.281 -176.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.429 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 41.1 mtp -98.52 100.4 11.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.632 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.5 p -99.62 150.62 22.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 8.9 tt0 -127.54 125.22 39.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.105 178.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.479 ' HG ' HD21 ' A' ' 23' ' ' LEU . 82.7 mt -66.14 127.89 33.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.275 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 32' ' ' TYR . 38.9 t -63.48 -31.18 51.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.743 -174.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.64 -63.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -109.93 -13.59 14.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 111.634 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.19 35.35 9.73 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.0 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -87.17 120.0 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -111.56 150.52 29.9 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.798 0.332 . . . . 0.0 110.955 -176.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.623 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -168.96 169.19 41.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.898 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.2 mm? -82.17 128.48 34.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.839 0.352 . . . . 0.0 110.773 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.23 149.62 61.5 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.01 139.63 80.09 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.272 2.648 . . . . 0.0 113.366 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.47 62.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.625 0.726 . . . . 0.0 109.262 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -63.22 -16.54 60.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.73 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.431 ' HD1' ' CD1' ' A' ' 13' ' ' TYR . 22.0 m-85 -114.65 -15.17 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.536 -177.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -175.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -92.24 113.0 57.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.58 120.9 8.78 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.577 2.185 . . . . 0.0 111.102 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.426 ' CG2' HG13 ' A' ' 10' ' ' ILE . 48.9 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -176.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.68 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.087 0.47 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -116.5 146.73 42.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.539 ' HB ' HD12 ' B' ' 67' ' ' LEU . 26.1 pt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 173.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -88.97 94.65 10.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.107 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.51 100.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.488 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -89.73 108.59 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.924 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.561 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.5 p -75.81 167.99 20.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.202 -173.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.423 ' O ' HD23 ' B' ' 8' ' ' LEU . 4.5 tt -58.86 -33.7 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.552 174.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -76.1 -3.45 36.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.759 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.48 25.17 40.17 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.654 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -99.57 129.86 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -96.0 90.38 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.098 0.475 . . . . 0.0 109.841 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 mm -95.04 108.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.248 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -76.16 111.72 11.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.429 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.0 129.7 43.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -90.69 100.89 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.321 0.581 . . . . 0.0 109.452 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.47 163.52 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.885 -176.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -113.04 161.88 16.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -68.38 -18.06 64.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -94.08 -2.88 52.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.67 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.7 158.21 28.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.732 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 22.3 p -92.81 161.89 14.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.626 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -62.69 -30.13 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.66 -49.35 75.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.967 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.5 ' O ' HG13 ' B' ' 30' ' ' ILE . 19.3 t -60.65 -46.11 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 83.9 mttt -58.95 -41.44 87.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -67.22 -36.81 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.739 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -64.91 -40.58 95.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.015 0.435 . . . . 0.0 110.674 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 26' ' ' VAL . 52.7 mt -69.26 -36.97 75.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.086 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.3 tt0 -68.17 -31.62 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.137 0.494 . . . . 0.0 110.501 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.78 -41.57 83.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -87.12 -49.5 7.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.28 -48.85 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.444 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 99.2 41.54 2.99 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.613 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.529 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 49.9 mt -112.42 135.85 21.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.7 Cg_endo -53.17 128.67 30.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.905 2.403 . . . . 0.0 112.502 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.7 Cg_exo -58.73 -37.69 92.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.29 2.66 . . . . 0.0 113.611 -174.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.9 -30.13 68.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 0.0 110.431 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -79.82 -34.82 39.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.061 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.529 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 26.9 mt-30 -68.09 99.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 177.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -112.12 108.8 18.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.354 0.597 . . . . 0.0 110.427 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 85.4 mt -78.97 146.93 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.325 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -130.61 120.67 48.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -107.67 103.53 12.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.536 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.04 17.37 6.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.573 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.99 -16.7 13.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.071 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.21 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -67.27 143.25 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.93 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 27.3 mt -115.32 103.55 10.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.725 0.298 . . . . 0.0 110.955 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.28 154.54 19.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.626 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.8 p-10 -78.17 164.68 24.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 177.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.98 -10.34 60.27 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.392 -174.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.594 ' HD2' ' OH ' ' B' ' 59' ' ' TYR . 50.4 mtt180 -126.63 173.05 9.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.732 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 52.1 p -103.08 176.09 5.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.698 0.285 . . . . 0.0 110.968 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.96 -29.68 70.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 110.046 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -71.78 -22.55 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -73.75 -6.71 48.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.303 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.594 ' OH ' ' HD2' ' B' ' 54' ' ' ARG . 93.0 m-85 -123.77 13.49 9.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -177.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 65.07 21.23 12.2 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.239 0.542 . . . . 0.0 111.025 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.75 133.84 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -108.86 -177.96 3.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.41 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.68 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 96.9 mttt -73.35 147.18 44.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.826 -175.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 63.41 28.92 15.6 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.132 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.1 m -78.52 152.07 32.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.746 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 84.8 m -104.29 124.31 48.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.183 175.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' B' ' 3' ' ' ILE . 6.8 mp -120.56 169.93 9.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.963 0.411 . . . . 0.0 110.652 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -122.06 138.65 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.004 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.561 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 58.3 tp -106.47 102.16 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.873 0.368 . . . . 0.0 110.366 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.6 t -102.59 129.75 53.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.5 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.23 127.86 34.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.145 0.498 . . . . 0.0 110.598 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -70.27 133.14 46.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.477 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 121.061 0.458 . . . . 0.0 110.803 179.005 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 46.8 mttm . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -135.59 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.884 0.373 . . . . 0.0 111.07 -176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.86 174.07 32.44 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.579 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.1 mt -127.99 129.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.427 HG21 HD13 ' A' ' 25' ' ' ILE . 2.5 p -87.01 127.15 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 0.0 111.006 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -102.46 -37.06 8.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.741 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.2 136.52 46.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.74 -176.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.45 138.94 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.185 177.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.432 ' HB3' HG12 ' A' ' 25' ' ' ILE . 82.2 t80 -140.88 139.48 34.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.002 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 78.2 mtp -115.2 131.4 56.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.506 -176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.87 -39.78 10.06 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 m -102.77 158.68 16.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.326 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -70.06 -17.96 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 -177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -74.65 -23.01 58.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.145 0.497 . . . . 0.0 110.371 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 42' ' ' TRP . 56.0 mt-10 -85.98 161.96 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.035 -173.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD22 ' HG ' ' A' ' 47' ' ' LEU . 55.2 tp -126.17 122.71 36.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.94 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.9 m -70.28 121.95 18.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.368 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 15' ' ' PHE . 16.6 pt -127.34 144.24 37.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.523 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -105.18 144.4 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.152 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -66.84 138.5 57.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.246 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.28 -0.04 61.67 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.876 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -91.23 158.13 16.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.192 0.52 . . . . 0.0 111.355 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' O ' HG11 ' A' ' 48' ' ' VAL . 12.6 mmmm -97.42 135.75 38.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.367 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.582 HG12 HD22 ' A' ' 47' ' ' LEU . 28.6 m -132.09 146.35 33.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.558 ' HB2' ' HB3' ' A' ' 46' ' ' GLN . 80.7 m-85 -91.17 154.78 19.09 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.551 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 52.3 mt -115.22 121.37 67.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 121.094 0.473 . . . . 0.0 110.134 178.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 52.5 mt -80.11 -56.3 4.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.498 ' H ' ' HB2' ' A' ' 44' ' ' MET . 27.7 m-20 -132.66 123.15 25.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.331 176.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.538 ' HB3' HG22 ' A' ' 33' ' ' ILE . 9.1 p-10 -112.91 -7.6 13.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.494 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 12.7 ptpt -130.04 8.64 5.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.88 -28.43 49.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 p -148.26 151.91 36.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.132 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -99.66 -21.41 15.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.659 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.571 ' HB3' HD11 ' B' ' 8' ' ' LEU . 5.8 m-20 -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.768 -172.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 22' ' ' GLU . 37.4 m95 -123.61 143.55 50.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.457 -0.792 . . . . 0.0 108.952 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.483 ' CZ3' ' HG3' ' A' ' 63' ' ' PRO . 43.1 m0 -113.57 159.84 19.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 0.0 111.488 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.498 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 67.7 mmm -92.65 97.18 10.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.302 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -105.65 146.23 29.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.321 0.582 . . . . 0.0 111.794 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 38.0 tt0 -121.46 118.85 30.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.947 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD22 HG12 ' A' ' 31' ' ' VAL . 95.8 mt -70.44 118.2 12.95 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 30' ' ' LYS . 8.8 p -63.56 -36.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.603 0.716 . . . . 0.0 110.103 176.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.18 -60.35 3.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.517 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.9 m -104.66 -38.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.79 17.98 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.835 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.33 141.01 58.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 111.216 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -125.49 156.53 38.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.46 -173.33 45.73 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.538 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -88.1 127.66 35.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 110.834 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.13 153.79 81.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.807 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.5 123.75 13.71 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.447 2.098 . . . . 0.0 111.704 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -31.89 64.61 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 59' ' ' GLN . 8.1 tt0 -78.34 -6.71 55.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.681 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -93.23 -4.24 52.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.167 -0.333 . . . . 0.0 110.904 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mm -121.15 133.76 66.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.253 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -95.65 109.83 47.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 167.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.1 Cg_exo -76.39 115.77 4.17 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.214 1.942 . . . . 0.0 110.674 177.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.474 HG11 ' O ' ' A' ' 64' ' ' VAL . 7.1 p . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 122.273 1.035 . . . . 0.0 110.206 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.566 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 17.3 ptt? . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -112.93 123.98 51.57 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.411 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.418 ' HB ' HD13 ' B' ' 67' ' ' LEU . 35.5 pt -117.42 146.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.54 173.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -95.38 102.88 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.364 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.9 t -94.6 108.52 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.718 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.91 111.28 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.504 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.585 HG21 HD21 ' B' ' 69' ' ' LEU . 47.4 p -77.02 165.01 25.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.888 HD13 ' H ' ' B' ' 71' ' ' LEU . 49.0 mt -51.42 -34.8 36.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 111.471 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -83.67 2.04 39.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.927 -172.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.33 0.33 61.38 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.772 -0.727 . . . . 0.0 113.063 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -71.38 111.82 7.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.7 m -95.0 95.16 8.42 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 mt -100.77 113.08 35.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.112 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -76.07 111.59 11.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.45 131.68 54.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -81.87 105.0 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.521 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.06 141.99 43.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.312 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.4 OUTLIER -92.22 154.81 18.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.9 p -64.94 -26.62 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.257 0.551 . . . . 0.0 110.325 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.3 m -85.68 0.18 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.537 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.0 m-20 -79.5 152.69 30.06 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 53.7 p -91.58 159.98 15.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.763 174.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.556 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.4 mm -61.43 -29.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 172.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.95 -47.93 83.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.283 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.677 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.4 t30 -69.97 -36.28 75.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.32 -177.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -60.59 -40.69 85.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 86.0 mttt -61.29 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.365 178.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.9 p -73.17 -26.75 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.253 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.677 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.5 mttm -62.22 -49.0 77.49 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.6 mt -71.57 -35.41 56.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.547 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 24.1 tm0? -62.73 -29.36 70.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.077 0.465 . . . . 0.0 109.941 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.05 -52.18 7.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.968 176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -64.94 -53.5 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.762 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -100.88 -40.46 7.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.787 0.327 . . . . 0.0 111.206 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.547 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 102.04 40.77 2.58 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.689 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.512 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 27.6 mt -106.7 122.81 40.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 122.698 -0.295 . . . . 0.0 110.28 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.3 Cg_endo -51.35 128.72 26.51 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.496 2.797 . . . . 0.0 112.9 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.502 ' HD3' ' HG3' ' B' ' 31' ' ' GLN . 38.9 Cg_exo -61.64 -34.64 83.84 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.37 2.713 . . . . 0.0 113.202 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.94 -28.26 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 0.0 110.229 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 27.8 tt0 -78.98 -36.02 42.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' B' ' 69' ' ' LEU . 27.5 mt-30 -70.02 116.51 10.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.121 -176.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 70.6 mtp180 -118.15 111.14 18.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.817 173.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -87.17 132.83 33.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.403 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.18 121.58 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 110.266 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -128.76 112.73 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.624 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 39.48 27.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.658 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.48 -4.78 80.59 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.515 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.12 112.98 25.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.707 0.289 . . . . 0.0 110.471 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -72.42 115.05 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 67.6 mt -84.59 106.12 15.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.346 0.593 . . . . 0.0 111.617 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -77.13 141.12 40.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.225 174.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.556 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.4 p30 -85.71 150.18 24.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.08 -4.37 30.2 Favored Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -167.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -122.14 165.79 15.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 75.2 p -101.65 168.32 9.55 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.25 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.6 t -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.739 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.13 -42.23 84.78 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.978 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -89.45 -13.54 37.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 60.28 76.96 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.678 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.4 132.22 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.593 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.44 177.66 6.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.17 0.51 . . . . 0.0 111.035 -175.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.566 ' HG3' ' HB2' ' B' ' 1' ' ' MET . 25.0 ttpp -86.1 152.16 23.09 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 172.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 72.29 8.05 5.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.507 0.504 . . . . 0.0 110.761 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 56.2 m -79.17 143.22 35.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 0.0 111.06 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 33.2 m -101.93 117.63 35.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.88 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.418 HD13 ' HB ' ' B' ' 3' ' ' ILE . 6.9 mp -108.35 147.33 31.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.562 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -111.85 127.82 55.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.585 HD21 HG21 ' B' ' 7' ' ' THR . 43.3 tp -100.53 103.66 15.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.1 0.476 . . . . 0.0 110.945 -175.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.618 HG13 HD22 ' B' ' 8' ' ' LEU . 23.1 t -98.31 127.99 50.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.09 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.888 ' H ' HD13 ' B' ' 8' ' ' LEU . 87.6 mt -101.15 134.38 44.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.154 0.502 . . . . 0.0 111.523 -172.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 37.9 ttt180 -67.51 139.88 57.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.879 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.373 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.621 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 92.8 mttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -109.88 128.37 55.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.469 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.555 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -136.25 162.26 25.04 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.478 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.7 mt -126.45 133.02 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.595 HG22 HD12 ' A' ' 25' ' ' ILE . 3.4 p -82.7 136.68 22.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -99.4 -25.87 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.103 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -125.96 146.74 49.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.618 0.247 . . . . 0.0 111.052 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.95 128.95 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.432 ' HB3' HG12 ' A' ' 25' ' ' ILE . 87.1 t80 -127.54 110.42 12.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.136 0.493 . . . . 0.0 110.071 177.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.621 ' HA ' HG21 ' A' ' 24' ' ' THR . 82.5 mtp -93.34 118.14 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.879 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -70.64 140.39 51.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.208 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.24 -19.87 16.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.1 p -123.06 173.24 7.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -72.97 -25.12 60.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.537 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' HB3' HD12 ' A' ' 55' ' ' LEU . 2.1 m-20 -65.78 -38.93 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.323 0.582 . . . . 0.0 110.842 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 16.3 mt-10 -82.12 156.74 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.773 -175.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.439 HD21 ' HG ' ' A' ' 47' ' ' LEU . 59.7 tp -107.99 119.15 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.621 HG21 ' HA ' ' A' ' 16' ' ' MET . 36.0 m -70.64 113.44 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 177.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.595 HD12 HG22 ' A' ' 11' ' ' VAL . 9.2 pt -119.17 149.72 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.326 -174.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -116.29 145.33 43.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.761 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -56.29 117.96 4.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.898 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -12.57 31.11 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.438 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.6 138.83 55.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.618 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -91.83 133.1 35.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.237 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.65 HG22 HD13 ' A' ' 61' ' ' ILE . 8.2 m -129.16 140.26 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.16 0.505 . . . . 0.0 111.447 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 28.5 m-85 -89.07 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.335 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.621 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.1 mt -91.59 113.2 26.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.942 0.401 . . . . 0.0 110.047 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 3.3 mm? -82.99 -59.67 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.131 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' H ' ' HB2' ' A' ' 44' ' ' MET . 8.7 t70 -129.67 119.21 23.16 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.426 177.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 11.8 p-10 -118.79 18.78 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.177 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HZ3' ' HB3' ' A' ' 37' ' ' LYS . 7.5 mtpm? -111.51 -30.11 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.834 -170.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HG2' ' OD1' ' A' ' 35' ' ' ASP . 45.7 mmtm -70.51 -34.58 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.091 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -147.48 166.8 26.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.033 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.603 ' HD3' ' H ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -122.74 8.69 9.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.519 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HA ' ' CD2' ' B' ' 8' ' ' LEU . 9.9 m-20 -102.85 -52.58 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.692 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -124.13 137.14 54.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.686 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.513 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 27.3 m0 -120.95 162.11 20.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.475 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 80.4 mmm -90.93 121.24 32.59 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 173.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.455 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 90.6 m -134.47 155.38 50.45 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.739 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -127.56 130.36 48.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.052 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 25' ' ' ILE . 96.2 mt -66.43 114.02 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.412 HG22 ' CE2' ' A' ' 32' ' ' TYR . 68.8 t -58.26 -30.82 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 0.0 110.796 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.41 -53.27 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.969 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -96.57 -40.38 9.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.72 -3.93 36.55 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.58 145.59 38.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.563 0.221 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 t -127.89 165.72 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.79 0.329 . . . . 0.0 110.249 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.59 -171.73 44.21 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 21' ' ' ASP . 77.6 mt -87.03 129.7 34.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.324 . . . . 0.0 110.896 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 30.7 m -134.69 147.56 63.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 19.0 Cg_exo -66.9 126.43 15.25 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.641 2.227 . . . . 0.0 111.695 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.32 -15.47 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.29 -174.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.762 HE21 ' HG ' ' B' ' 8' ' ' LEU . 11.3 pt20 -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.254 -177.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -110.86 -9.53 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.309 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.65 HD13 HG22 ' A' ' 31' ' ' VAL . 49.3 mm -101.13 114.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -108.79 106.06 58.12 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.555 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 22.7 Cg_exo -65.51 131.92 29.45 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.61 2.207 . . . . 0.0 111.423 175.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.691 -175.76 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.674 0.749 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -97.05 125.58 41.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.009 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -117.53 152.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -104.21 98.3 8.13 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.461 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -86.22 106.2 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.749 0.785 . . . . 0.0 110.137 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -93.34 106.64 18.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.478 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.546 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 63.3 p -74.79 170.1 16.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.762 ' HG ' HE21 ' A' ' 59' ' ' GLN . 2.4 tt -61.56 -30.05 70.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.204 177.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.8 p -81.31 -2.15 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.756 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.87 1.16 73.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.519 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -75.74 113.37 13.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -100.94 105.22 16.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.015 0.436 . . . . 0.0 110.114 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.461 ' HB ' HG13 ' B' ' 5' ' ' VAL . 53.3 mt -99.35 135.04 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 -176.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -82.77 111.45 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.58 HD13 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.06 126.04 52.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -91.53 104.62 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.19 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.58 HG13 HD13 ' B' ' 15' ' ' LEU . 31.2 m -134.9 154.7 37.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.656 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.42 156.33 23.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.629 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.515 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 12.9 m -66.25 -23.96 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.399 . . . . 0.0 111.34 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -82.27 -0.48 45.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.931 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -99.4 164.18 12.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.679 0.276 . . . . 0.0 110.543 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.725 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -91.05 164.06 14.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.503 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.421 HD11 HD22 ' B' ' 50' ' ' LEU . 49.9 mm -65.37 -29.58 47.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.276 0.56 . . . . 0.0 109.694 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 11.2 t70 -64.04 -41.55 97.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.421 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.658 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 23.9 t-20 -62.8 -42.49 99.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.796 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.516 ' O ' HG13 ' B' ' 30' ' ' ILE . 63.5 t -58.68 -42.11 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.405 174.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 91.2 mttt -53.77 -47.61 70.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.153 177.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -65.98 -34.91 79.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.989 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.658 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.4 mttm -67.89 -29.75 68.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.675 0.274 . . . . 0.0 110.976 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.516 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -75.69 -41.6 40.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.756 0.312 . . . . 0.0 110.21 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.419 ' HG3' ' HA2' ' B' ' 35' ' ' GLY . 32.5 tt0 -63.7 -34.75 78.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 109.892 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.7 -30.23 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 44.1 mmtm -91.02 -69.37 0.74 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.719 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.95 -48.36 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.33 -171.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.419 ' HA2' ' HG3' ' B' ' 31' ' ' GLN . . . 118.82 -3.6 14.73 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.516 175.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.01 129.01 91.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.795 0.298 . . . . 0.0 110.794 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.06 132.98 55.22 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.088 2.525 . . . . 0.0 113.026 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.45 -26.87 83.74 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.481 2.787 . . . . 0.0 112.792 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.6 -27.28 67.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.421 0.629 . . . . 0.0 110.34 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -96.31 -29.28 14.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.478 ' HB3' HD12 ' B' ' 69' ' ' LEU . 26.0 mt-30 -72.93 117.81 15.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.782 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.596 ' HD2' ' HB2' ' B' ' 72' ' ' ARG . 74.4 mtp180 -121.4 126.24 48.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.63 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 6.4 mp -97.24 138.59 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -178.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -125.27 125.47 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.479 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -128.74 111.08 12.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.173 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 16.96 9.58 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.81 -15.51 44.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.563 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.0 ttmm -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -91.51 124.2 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.881 0.372 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.63 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.3 mp -93.92 110.7 22.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.524 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -99.77 168.18 10.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.562 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 1.3 p30 -79.2 19.93 0.54 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.165 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.5 0.03 30.88 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.131 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.502 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 72.3 mtt-85 -137.37 174.25 10.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.118 0.459 . . . . 0.0 111.141 -178.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.725 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.4 p -102.49 179.18 4.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.654 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.0 mp -66.13 -31.44 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 110.516 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 t -68.21 -31.7 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.626 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.06 -37.14 86.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.563 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 97.8 m-85 -95.66 2.04 53.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.9 m120 57.69 40.35 26.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.277 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.477 HD11 HD21 ' B' ' 50' ' ' LEU . 81.3 mt -69.61 124.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.217 -177.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -83.43 165.91 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.727 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -74.77 142.51 44.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.286 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 62.21 30.95 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.779 0.674 . . . . 0.0 111.196 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 p -85.92 155.56 20.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -101.41 103.65 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.233 0.54 . . . . 0.0 110.908 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.71 144.13 25.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.499 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -97.85 125.28 42.65 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 44.2 tp -99.98 110.08 22.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.088 0.47 . . . . 0.0 110.367 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -111.5 136.27 48.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.721 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.69 143.13 29.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.032 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.596 ' HB2' ' HD2' ' B' ' 42' ' ' ARG . 32.2 ttm180 -82.84 -3.0 56.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 175.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.898 178.214 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 67.2 mttt . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -117.99 150.5 39.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.288 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.92 159.13 28.31 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.175 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -124.16 125.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -79.0 126.96 39.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.766 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -100.28 -23.86 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.961 -175.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -123.46 134.23 53.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.52 137.01 58.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.243 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.528 ' HB3' HG12 ' A' ' 25' ' ' ILE . 54.6 t80 -130.73 109.04 10.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.997 0.427 . . . . 0.0 111.101 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.432 ' HA ' HG21 ' A' ' 24' ' ' THR . 26.5 mmt -86.56 126.97 34.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.768 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -78.55 122.91 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 111.391 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.562 ' HB2' ' NE2' ' B' ' 49' ' ' GLN . 10.9 tp10 -88.82 -50.03 6.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 t -93.18 164.35 13.28 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -77.58 -7.32 56.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.995 0.426 . . . . 0.0 111.095 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.24 -27.37 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.37 0.605 . . . . 0.0 109.758 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 35.9 mt-10 -79.68 153.02 29.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.021 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.638 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 47.3 tp -105.72 121.46 44.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.432 HG21 ' HA ' ' A' ' 16' ' ' MET . 4.1 m -76.78 107.1 8.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.892 0.377 . . . . 0.0 110.209 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.528 HG12 ' HB3' ' A' ' 15' ' ' PHE . 14.5 pt -123.78 155.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.467 -173.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -115.91 150.2 37.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.557 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 t -61.68 123.06 16.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.93 -6.17 37.17 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.868 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.64 155.45 31.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.277 0.561 . . . . 0.0 111.132 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HB3' HG12 ' A' ' 48' ' ' VAL . 3.6 tmtp? -104.16 129.67 51.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.393 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG13 HD21 ' A' ' 47' ' ' LEU . 27.7 m -134.49 163.67 36.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.375 0.607 . . . . 0.0 112.053 -177.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.739 ' CE2' HG22 ' A' ' 48' ' ' VAL . 24.8 m-85 -100.84 146.12 27.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.0 mt -103.12 126.24 57.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 34' ' ' LEU . 2.8 mm? -98.16 -74.16 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.246 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 14.4 t0 -105.58 112.48 25.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.606 -177.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -122.0 -58.17 1.74 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -66.07 -7.86 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -171.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -77.87 -19.96 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -151.17 167.54 27.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -120.54 13.71 11.77 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.586 ' HB3' HD12 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -114.87 -68.16 0.94 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.054 -170.535 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 60.0 m95 -118.35 134.48 55.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.206 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -119.25 154.48 33.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.968 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.442 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 41.0 mtp -95.9 124.67 40.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.4 m -132.21 157.95 43.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.103 0.477 . . . . 0.0 111.046 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 35.3 tt0 -132.03 133.94 44.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.173 -177.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.509 HD21 HG13 ' A' ' 31' ' ' VAL . 97.1 mt -59.84 119.36 7.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.739 HG22 ' CE2' ' A' ' 32' ' ' TYR . 14.0 p -50.07 -49.6 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.951 0.782 . . . . 0.0 113.083 -167.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.34 -35.43 15.24 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.357 -175.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 m -78.06 -43.36 29.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -170.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.74 -9.56 56.99 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.544 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HB2' HD11 ' A' ' 47' ' ' LEU . 96.2 mttt -67.48 119.37 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.5 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -116.79 141.63 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.357 -177.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.638 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -161.95 -175.78 33.34 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.167 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 28.2 tp -100.43 128.49 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG13 HD12 ' A' ' 25' ' ' ILE . 29.8 m -135.12 158.13 75.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.939 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.33 134.74 37.24 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.628 2.218 . . . . 0.0 111.946 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.75 73.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.975 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.538 ' NE2' HD22 ' B' ' 8' ' ' LEU . 9.8 pt20 -80.56 3.45 21.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.103 -176.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.87 -20.22 16.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.069 0.461 . . . . 0.0 110.181 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -107.77 126.96 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.376 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 12.6 tp10 -103.76 106.02 50.61 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 62' ' ' GLU . 14.9 Cg_exo -68.34 120.6 7.55 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.239 2.626 . . . . 0.0 113.027 -174.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 64' ' ' VAL . 5.6 p . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.997 0.903 . . . . 0.0 109.735 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.629 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 21.0 ptt? . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.683 0.754 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.45 ' HB2' ' OE1' ' B' ' 64' ' ' GLU . 20.7 mt-30 -107.06 120.47 42.18 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.407 -1.27 . . . . 0.0 111.299 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.644 ' HB ' HD13 ' B' ' 67' ' ' LEU . 43.2 pt -120.48 133.18 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 169.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 92.6 m-85 -90.87 102.29 15.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.025 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.6 t -83.01 105.8 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -102.34 110.35 22.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.913 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.598 HG23 HD21 ' B' ' 69' ' ' LEU . 47.0 p -82.71 174.28 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.15 0.5 . . . . 0.0 111.969 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.8 HD11 ' H ' ' B' ' 71' ' ' LEU . 30.8 mt -60.76 -34.37 74.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.694 174.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -84.75 -10.88 56.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.426 -169.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.73 9.01 31.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.758 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -84.04 107.04 16.16 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 10.8 m -106.63 92.54 4.15 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -104.53 129.63 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.576 -175.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -74.99 111.67 10.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.109 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 128.85 44.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -89.62 95.01 10.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.869 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' B' ' 1' ' ' MET . 9.9 m -128.11 152.99 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.764 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -97.57 167.09 11.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -67.92 -24.73 65.23 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.972 0.415 . . . . 0.0 111.442 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -89.21 0.52 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.038 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.69 142.12 38.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.638 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 34.2 p -86.34 152.68 22.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.426 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 49.5 mm -57.78 -38.25 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.767 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 1.3 p30 -60.45 -38.93 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.165 177.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.607 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 11.1 t-20 -70.03 -38.67 75.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.424 HG22 HD21 ' B' ' 56' ' ' LEU . 60.6 t -62.52 -41.61 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.404 176.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 98.8 mttt -57.49 -43.11 83.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 109.866 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t -66.41 -36.56 83.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.013 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.5 mttm -57.84 -43.32 85.79 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 109.994 176.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.92 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.561 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 9.2 tt0 -61.96 -39.35 91.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 176.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.646 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -74.38 -77.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.958 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.56 -6.62 25.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.528 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.68 43.75 7.15 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.393 175.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.5 mt -105.97 121.47 45.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.65 128.91 31.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.18 2.586 . . . . 0.0 113.392 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.7 Cg_exo -61.3 -35.67 83.28 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.373 2.715 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.21 -19.27 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.634 HE22 HD12 ' B' ' 71' ' ' LEU . 0.4 OUTLIER -100.52 -7.78 23.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.617 -174.431 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.676 ' HB3' HD13 ' B' ' 69' ' ' LEU . 25.6 mt-30 -103.93 134.22 47.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.601 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -133.32 113.19 12.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.05 0.453 . . . . 0.0 109.907 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -85.01 152.46 23.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.339 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 67.4 mt -137.26 127.35 38.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.747 0.308 . . . . 0.0 110.328 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -132.66 120.19 21.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.47 27.6 17.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.652 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.43 -17.98 57.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.279 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.631 ' HB2' ' HZ1' ' B' ' 48' ' ' LYS . 10.0 mtmp? -91.51 127.56 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.562 ' NE2' ' HB2' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -77.39 143.18 38.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.194 0.521 . . . . 0.0 110.536 178.762 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 9.2 mt -111.32 112.57 24.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.614 -176.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -117.39 179.24 4.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.336 0.588 . . . . 0.0 111.859 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' B' ' 24' ' ' ASP . 6.8 m-20 -68.81 149.58 48.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.078 -173.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.74 -41.85 2.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.567 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.549 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 17.1 mmt180 -97.22 162.09 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.638 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.8 p -95.51 178.38 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.951 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.424 HD21 HG22 ' B' ' 26' ' ' VAL . 3.7 mm? -64.01 -34.55 78.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.359 0.6 . . . . 0.0 109.907 173.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 t -74.32 -31.15 62.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.132 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 13.3 t70 -65.35 -45.15 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.184 -177.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.549 ' CE2' ' HB2' ' B' ' 54' ' ' ARG . 48.9 m-85 -79.82 5.65 13.07 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 60.91 67.98 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.603 0.716 . . . . 0.0 110.358 -177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.0 mt -113.59 129.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.236 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -92.05 164.62 13.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.629 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 56.8 pttt -86.31 169.14 13.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.45 ' OE1' ' HB2' ' B' ' 2' ' ' GLN . 7.7 mm-40 62.18 20.33 11.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.309 0.575 . . . . 0.0 110.217 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -108.75 157.38 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.033 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 17.7 m -100.81 117.67 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 111.002 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.644 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.3 mp -99.54 138.74 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.388 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -96.58 121.49 38.47 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.177 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.676 HD13 ' HB3' ' B' ' 41' ' ' GLN . 46.7 tp -97.11 100.76 12.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.24 0.543 . . . . 0.0 110.588 -178.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.523 HG12 HD21 ' B' ' 8' ' ' LEU . 45.1 t -96.92 120.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.209 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.8 ' H ' HD11 ' B' ' 8' ' ' LEU . 74.4 mt -86.44 156.05 20.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.769 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.76 -8.26 54.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.232 0.161 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -173.043 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 11.3 ptmt . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 121.263 0.554 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -105.54 155.32 19.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.293 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.85 168.83 28.06 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.924 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -130.31 131.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.709 HG23 HD11 ' A' ' 25' ' ' ILE . 5.3 p -83.9 134.15 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 110.821 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -99.35 -11.89 20.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.037 -174.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.36 171.59 11.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.015 0.436 . . . . 0.0 111.234 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.17 155.29 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.693 171.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -160.22 132.3 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.669 0.271 . . . . 0.0 110.887 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.4 mtt -100.1 127.15 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.849 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -81.14 156.1 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.893 0.378 . . . . 0.0 111.283 -178.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -114.84 -46.37 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.266 0.555 . . . . 0.0 110.002 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -99.26 168.45 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.44 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.558 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.34 -34.86 79.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.45 0.643 . . . . 0.0 110.217 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 28.5 mt-10 -89.02 160.23 17.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.972 -171.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 HD22 ' HG ' ' A' ' 47' ' ' LEU . 60.9 tp -126.18 123.72 38.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.6 m -71.65 119.83 16.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.505 177.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.709 HD11 HG23 ' A' ' 11' ' ' VAL . 12.1 pt -123.58 153.73 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.984 -176.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -127.45 149.57 50.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.6 m -54.86 116.86 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.353 0.408 . . . . 0.0 110.391 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.49 -10.26 30.62 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.148 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.13 127.06 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.239 0.52 . . . . 0.0 110.366 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -79.35 127.06 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.602 HG11 HD22 ' A' ' 47' ' ' LEU . 17.0 m -128.51 150.78 34.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.393 0.616 . . . . 0.0 112.414 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CE2' HG22 ' A' ' 48' ' ' VAL . 62.8 m-85 -96.34 131.27 43.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.097 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.565 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 55.6 mt -91.32 110.09 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 43.5 mt -80.02 -74.73 0.29 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.577 ' H ' ' HB2' ' A' ' 44' ' ' MET . 1.7 m-20 -121.58 136.34 54.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.313 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' CG ' ' HZ3' ' A' ' 7' ' ' LYS . 10.6 p30 -128.53 -62.85 1.01 Allowed 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -175.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -53.65 -26.61 23.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -71.36 -19.46 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.3 m -127.94 157.72 39.8 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -126.31 2.64 7.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.682 0.753 . . . . 0.0 109.863 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -124.89 -51.67 1.68 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.192 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.599 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 71.5 m95 -122.8 118.26 27.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.003 0.43 . . . . 0.0 110.803 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -101.99 157.12 17.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.577 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.3 mmm -87.19 112.3 21.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.675 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 92.8 m -129.85 149.65 51.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.749 0.309 . . . . 0.0 110.997 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -122.81 124.91 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.203 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.602 HD22 HG11 ' A' ' 31' ' ' VAL . 96.2 mt -67.27 122.11 17.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.337 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.522 HG22 ' CE2' ' A' ' 32' ' ' TYR . 38.5 t -66.86 -25.66 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.636 0.731 . . . . 0.0 110.204 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.66 -11.84 44.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.797 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 t -126.92 -35.85 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.904 -174.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.16 -6.43 75.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.009 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -82.46 137.06 34.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 p -115.34 156.51 25.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.63 -175.45 47.27 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.961 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 42' ' ' TRP . 3.9 mm? -87.32 124.32 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.411 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.88 153.94 70.85 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.042 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 115.32 2.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.515 2.144 . . . . 0.0 112.067 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.925 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 8.6 tt0 -70.14 -12.17 61.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.343 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -94.5 -8.38 38.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.591 0.234 . . . . 0.0 111.175 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.28 137.2 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.998 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -116.96 108.17 44.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.04 115.44 4.27 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.917 2.411 . . . . 0.0 112.137 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.574 -178.569 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.579 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 21.1 ptt? . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.021 0.439 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -124.43 130.7 52.96 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -119.97 154.66 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.342 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -99.14 107.73 20.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.709 0.29 . . . . 0.0 110.245 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -91.77 96.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.957 0.408 . . . . 0.0 109.933 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.17 108.16 18.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.842 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -76.32 173.12 11.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.354 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' B' ' 70' ' ' VAL . 24.1 mt -61.25 -32.34 72.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 178.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.9 p -84.71 1.78 44.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.359 -172.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 26.24 33.49 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.909 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -104.15 119.89 39.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -91.74 95.28 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.897 0.38 . . . . 0.0 110.642 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.78 116.66 30.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -78.01 116.42 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.466 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -108.45 116.52 32.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' B' ' 1' ' ' MET . 23.6 tt0 -86.39 98.21 10.87 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.253 0.549 . . . . 0.0 109.69 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.46 161.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.651 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -104.32 170.22 8.02 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.964 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -69.85 -25.96 63.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.482 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -80.82 -1.43 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.07 163.7 15.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.576 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 39.4 p -106.33 152.32 23.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.64 0.257 . . . . 0.0 110.905 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.643 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.8 mm -58.28 -38.18 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.042 0.449 . . . . 0.0 110.971 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.873 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 1.1 p-10 -62.5 -38.42 89.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.2 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.45 -37.41 65.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.96 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.465 ' O ' HG13 ' B' ' 30' ' ' ILE . 82.7 t -61.25 -42.08 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.508 ' HE2' ' HG3' ' B' ' 41' ' ' GLN . 84.7 mttt -53.84 -40.46 66.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 110.597 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -66.93 -38.99 87.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.517 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -73.52 -18.53 61.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 26' ' ' VAL . 77.5 mt -81.36 -41.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.98 -33.19 74.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.777 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.35 -33.99 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.758 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -107.88 -57.37 2.11 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.461 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . 9.8 tp10 -86.5 -34.14 20.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.262 -175.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.5 18.17 29.01 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.902 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.473 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 79.0 mt -82.63 114.75 54.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.469 0.175 . . . . 0.0 110.729 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 10.1 Cg_endo -55.49 137.87 78.85 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.729 2.286 . . . . 0.0 111.897 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.6 Cg_exo -61.55 -26.61 80.88 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.949 2.433 . . . . 0.0 113.154 -175.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -86.23 -0.86 56.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.902 0.382 . . . . 0.0 111.264 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -114.85 8.84 16.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.496 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.6 ' HB2' HD11 ' B' ' 69' ' ' LEU . 9.9 pt20 -133.24 150.08 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.444 -0.503 . . . . 0.0 112.148 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -135.69 136.48 40.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.349 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.423 HD11 ' N ' ' B' ' 43' ' ' LEU . 6.6 mp -91.97 128.51 37.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -122.45 114.61 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.762 0.315 . . . . 0.0 110.497 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 39.8 t80 -110.85 110.19 20.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 18.47 5.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.918 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.84 -8.69 43.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.023 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.38 127.36 32.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.251 0.548 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.409 ' HG2' ' HG2' ' B' ' 51' ' ' GLU . 18.8 tt0 -69.96 113.35 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.385 176.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 43.5 mt -107.02 94.23 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.409 ' HG2' ' HG2' ' B' ' 49' ' ' GLN . 6.1 mm-40 -92.59 153.26 19.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.296 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.873 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 1.8 p-10 -71.54 165.82 23.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.157 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.24 -27.62 12.33 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -123.36 168.92 11.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 111.457 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.576 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 55.5 p -85.09 166.06 16.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.126 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mp -69.9 -27.34 64.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 175.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -60.27 -40.48 90.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.24 -41.82 93.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -79.77 -1.36 38.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 61.09 39.91 15.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.291 0.567 . . . . 0.0 111.399 177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.417 ' O ' ' HE2' ' B' ' 1' ' ' MET . 68.0 mt -83.59 125.48 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -105.53 174.03 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.579 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 10.9 ptmm? -72.54 156.11 39.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.993 0.425 . . . . 0.0 111.632 -177.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 64.93 22.16 12.43 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.059 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.479 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 12.3 p -82.89 144.17 30.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.797 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.2 m -97.14 102.09 13.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.22 0.533 . . . . 0.0 110.838 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.417 ' HG ' ' HB2' ' B' ' 45' ' ' PHE . 6.8 mp -92.9 141.87 27.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.434 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -104.97 119.99 40.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' B' ' 41' ' ' GLN . 31.5 tp -90.54 104.05 16.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.126 0.489 . . . . 0.0 110.414 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.55 ' HA ' HD21 ' B' ' 8' ' ' LEU . 58.2 t -106.41 128.23 61.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.842 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.498 ' H ' HD12 ' B' ' 8' ' ' LEU . 21.4 mt -73.16 160.02 32.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.297 -176.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -97.32 -2.29 42.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.22 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 18.2 tp . . . . . 0 CA--C 1.536 0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.319 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.265 0.555 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -97.18 137.01 36.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.823 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -138.79 143.95 14.82 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.53 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.738 HG13 ' HG2' ' A' ' 30' ' ' LYS . 1.7 mp -108.2 110.18 31.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 173.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.6 HG22 HD12 ' A' ' 25' ' ' ILE . 2.8 p -67.4 135.93 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.069 0.462 . . . . 0.0 111.199 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.476 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 31.9 mm-40 -100.83 -12.87 18.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.041 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -121.63 145.4 48.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.855 0.359 . . . . 0.0 111.213 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.72 116.99 21.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.692 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.44 ' HB3' HG12 ' A' ' 25' ' ' ILE . 41.3 t80 -112.0 121.27 44.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -102.1 100.49 10.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.408 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 125.8 25.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.593 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -102.06 -29.63 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.407 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 m -96.17 148.46 22.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.001 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.22 -12.63 60.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.099 0.476 . . . . 0.0 110.243 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.04 -33.43 74.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.752 172.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 39.7 mt-10 -85.98 173.7 9.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.307 -174.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 52' ' ' LYS . 24.7 tp -129.85 123.71 31.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.816 0.341 . . . . 0.0 111.222 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 14.5 m -79.05 105.45 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 11' ' ' VAL . 16.7 pt -123.16 155.32 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.269 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -106.34 152.89 22.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.205 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.6 t -64.64 114.98 4.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.22 7.43 26.66 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.42 -176.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -86.37 130.84 34.37 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.561 -0.376 . . . . 0.0 110.017 173.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.738 ' HG2' HG13 ' A' ' 10' ' ' ILE . 49.0 mtmt -85.91 126.98 34.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.999 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.91 HG11 HD23 ' A' ' 47' ' ' LEU . 33.5 m -128.07 146.08 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.04 0.448 . . . . 0.0 111.738 -174.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -92.65 121.95 34.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.455 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.9 mt -79.99 112.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -92.52 -76.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.35 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.656 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 3.7 m-20 -82.04 101.98 10.69 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 3.1 p30 -116.02 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.59 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -68.61 -29.6 68.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.134 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -72.29 -23.78 61.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.868 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.521 ' HB3' ' O ' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -150.7 114.84 5.07 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -73.06 -22.17 60.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.387 0.613 . . . . 0.0 110.636 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.602 ' HA ' HD23 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -88.12 -56.43 3.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.969 -175.772 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.521 ' O ' ' HB3' ' A' ' 39' ' ' SER . 50.3 m95 -117.62 125.59 51.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.607 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 43.0 m0 -105.01 146.37 29.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.656 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 4.4 mtm -91.36 105.24 17.63 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.646 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 74.6 m -102.83 141.52 35.5 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.311 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 36.9 tt0 -115.52 119.5 36.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.558 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.91 HD23 HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.41 123.66 17.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.958 -175.663 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.75 -41.55 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.237 0.541 . . . . 0.0 111.245 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.42 -38.16 17.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.14 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.8 m -93.8 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.99 5.97 65.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.47 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.854 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 76.5 mttt -70.73 126.74 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.513 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 85.1 p -125.04 125.14 43.37 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.496 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.69 -178.47 39.26 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.702 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 42' ' ' TRP . 4.4 mm? -84.28 126.02 32.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 111.36 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.55 HG12 HD11 ' A' ' 25' ' ' ILE . 31.6 m -136.34 151.18 72.73 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.804 174.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.71 133.04 37.54 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.514 2.143 . . . . 0.0 112.056 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.82 70.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.951 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -78.71 9.96 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.098 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.411 ' HZ ' ' HB ' ' B' ' 44' ' ' ILE . 3.4 m-30 -105.9 -15.88 14.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 0.0 110.116 176.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.549 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 49.8 mm -95.98 133.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.825 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HB2' ' HG2' ' A' ' 12' ' ' GLN . 1.4 tp10 -104.91 90.48 3.6 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 171.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.549 ' HD3' ' O ' ' A' ' 61' ' ' ILE . 18.5 Cg_exo -66.71 137.87 47.24 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.434 2.09 . . . . 0.0 111.767 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.719 0.771 . . . . 0.0 110.702 -179.849 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.465 ' CB ' ' HB3' ' B' ' 63' ' ' LYS . 14.2 ptt? . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -89.52 126.33 35.55 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.2 pt -116.12 135.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.08 93.85 5.69 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.778 HG13 ' HB ' ' B' ' 13' ' ' ILE . 2.8 p -93.47 110.91 23.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.435 0.636 . . . . 0.0 110.378 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.6 123.26 31.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.495 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.546 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 52.0 p -74.68 175.22 8.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.704 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 41' ' ' ASP . 4.8 tt -64.43 -20.71 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.472 . . . . 0.0 110.536 -178.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.9 p -85.32 -8.59 58.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.441 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 11.8 58.32 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.236 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -84.8 130.21 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 0.0 110.592 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.1 m -85.1 112.13 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.778 ' HB ' HG13 ' B' ' 5' ' ' VAL . 48.3 mm -99.97 104.85 16.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.792 174.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 27.0 m -79.35 111.52 15.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' B' ' 15' ' ' LEU . 13.3 tp -120.4 120.95 37.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.816 0.341 . . . . 0.0 111.124 -174.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -87.09 102.44 14.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.96 160.82 23.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -174.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.6 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 43.3 mt-10 -82.39 147.2 28.93 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -67.81 -23.74 65.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -102.82 13.12 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.6 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 21.0 t0 -78.14 147.81 34.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.745 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.8 p -78.65 150.36 32.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 40.3 mm -58.86 -33.82 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.234 0.54 . . . . 0.0 109.548 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.78 -42.69 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.868 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.429 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.9 t30 -73.29 -31.61 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.36 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 22' ' ' THR . 86.7 t -66.11 -43.38 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 172.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 92.6 mttt -55.93 -43.84 77.79 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 173.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -69.59 -27.89 65.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.105 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.9 mttp -67.45 -41.06 85.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.074 0.464 . . . . 0.0 110.129 173.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.14 -37.87 77.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.097 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.54 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 11.8 tt0 -68.59 -35.1 76.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.07 0.462 . . . . 0.0 110.397 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.01 -37.39 85.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -83.37 -61.22 1.9 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.81 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -98.54 -30.07 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 49.72 2.5 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.564 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.54 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 59.2 mt -108.32 126.72 28.97 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.4 Cg_exo -59.35 131.44 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.904 2.402 . . . . 0.0 112.576 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 32.5 Cg_exo -61.58 -31.05 86.89 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.165 2.577 . . . . 0.0 112.727 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.444 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 3.6 m-20 -63.84 -34.57 78.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.449 0.642 . . . . 0.0 110.191 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 16.5 tt0 -85.93 -4.19 59.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.631 -174.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.46 ' HG2' HD11 ' B' ' 69' ' ' LEU . 45.0 mt-30 -102.04 116.63 33.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -120.75 115.95 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 166.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.3 mm? -92.23 134.88 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.858 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HZ ' ' A' ' 60' ' ' PHE . 3.9 mp -114.84 125.13 72.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.909 0.385 . . . . 0.0 110.039 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 52.3 t80 -125.23 102.36 7.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.319 176.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.62 34.29 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.76 -8.61 58.15 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -89.88 111.56 22.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.09 112.63 17.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 21.1 mt -92.55 119.9 32.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.73 -172.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -117.5 162.51 17.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.222 0.534 . . . . 0.0 110.443 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.4 161.35 22.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.847 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.05 -37.27 3.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.676 -174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.514 ' HD2' ' OD2' ' B' ' 58' ' ' ASP . 14.5 mmt180 -102.08 171.48 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.765 0.317 . . . . 0.0 110.952 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.745 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 57.8 p -106.82 172.81 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.506 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.5 mt -68.38 -31.78 71.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.289 0.566 . . . . 0.0 110.039 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -69.16 -28.87 66.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.541 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.514 ' OD2' ' HD2' ' B' ' 54' ' ' ARG . 9.2 t70 -62.09 -46.76 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.423 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -85.03 0.14 52.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.169 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.8 m120 62.93 58.04 1.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.547 0.529 . . . . 0.0 110.805 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -95.89 129.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -92.83 -170.59 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.733 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.465 ' HB3' ' CB ' ' B' ' 1' ' ' MET . 18.0 pttm -93.81 154.2 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.28 12.36 8.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.824 0.703 . . . . 0.0 110.51 -175.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 75.8 m -68.83 139.57 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.127 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -97.26 113.44 25.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.494 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -104.71 156.68 17.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.837 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -126.22 129.04 48.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.821 0.343 . . . . 0.0 110.54 174.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 53.4 tp -93.79 105.68 17.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.511 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.9 t -105.14 131.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 175.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.547 ' H ' HD13 ' B' ' 8' ' ' LEU . 18.9 mt -81.04 144.54 31.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.722 0.772 . . . . 0.0 112.542 -169.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 34.8 ttm180 -98.79 104.7 16.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.365 -1.289 . . . . 0.0 107.927 170.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.328 -0.345 0 O-C-N 123.591 0.557 . . . . 0.0 111.12 -176.389 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 94.9 mttt . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 121.348 0.594 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -110.93 137.39 48.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.958 0.409 . . . . 0.0 110.543 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.63 152.43 21.63 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.904 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -110.95 111.52 36.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 2.6 p -72.89 124.98 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 0.0 111.091 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -86.02 -43.4 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.967 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 77.2 m-85 -102.44 -177.46 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 -176.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -115.83 128.07 55.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 66.3 t80 -127.72 136.28 51.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.643 0.258 . . . . 0.0 110.675 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp -103.41 141.76 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.02 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.55 112.23 24.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.81 -32.77 12.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.201 0.524 . . . . 0.0 109.763 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -86.55 166.46 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.912 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.31 52.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.31 0.576 . . . . 0.0 109.783 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.51 -12.46 42.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.55 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -90.96 163.44 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.551 0.215 . . . . 0.0 110.54 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.671 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 54.8 tp -124.13 145.4 49.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 111.127 -177.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -92.0 116.94 29.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.549 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.4 pt -122.47 145.22 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.781 0.324 . . . . 0.0 111.222 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -107.54 139.47 42.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.535 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 p -59.67 125.2 22.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.045 0.45 . . . . 0.0 111.426 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.98 1.49 63.08 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.671 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.82 152.57 26.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -88.96 120.62 30.54 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.718 HG23 HD13 ' A' ' 61' ' ' ILE . 34.1 m -125.21 149.66 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.992 0.425 . . . . 0.0 111.6 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 47.1 m-85 -89.84 151.43 21.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.236 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.42 ' HB ' ' CB ' ' A' ' 7' ' ' LYS . 56.4 mt -102.05 95.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 93.7 mt -63.8 -52.5 59.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.695 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.455 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 15.9 t70 -141.3 139.74 33.7 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.218 0.533 . . . . 0.0 111.384 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.458 ' CG ' ' HZ3' ' A' ' 7' ' ' LYS . 10.7 p30 -134.04 24.23 3.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.84 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -126.69 -39.84 1.96 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 69.8 mmtt -59.03 -40.92 86.49 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.434 0.635 . . . . 0.0 110.18 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 m -146.01 148.14 32.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.364 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -93.27 -25.12 17.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 0.0 110.147 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.871 ' HA ' HD13 ' B' ' 8' ' ' LEU . 5.2 m-20 -78.66 -36.91 43.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.72 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.459 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 70.3 m95 -124.17 126.43 46.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -112.97 158.6 20.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.309 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.547 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -101.97 125.35 48.63 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.505 ' SG ' HD22 ' A' ' 23' ' ' LEU . 27.9 p -123.41 158.08 31.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.801 0.334 . . . . 0.0 110.957 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.518 ' HG3' ' HG ' ' A' ' 53' ' ' SER . 54.3 tt0 -133.19 123.72 26.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.595 HD23 HG13 ' A' ' 31' ' ' VAL . 96.9 mt -66.79 126.02 27.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.5 t -76.02 -23.38 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.516 0.674 . . . . 0.0 109.49 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.06 -57.96 3.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 t -85.68 -45.61 11.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.558 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.2 -16.79 32.27 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.18 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.73 155.33 40.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.74 0.305 . . . . 0.0 110.815 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.518 ' HG ' ' HG3' ' A' ' 46' ' ' GLN . 7.1 m -128.69 162.99 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 -175.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.671 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 172.89 178.14 42.71 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.136 176.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 25.5 tp -92.52 133.14 36.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.894 0.478 . . . . 0.0 110.639 -177.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.502 HG13 HD13 ' A' ' 25' ' ' ILE . 29.6 m -141.11 159.62 60.94 Favored Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.49 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HB3' HG22 ' B' ' 70' ' ' VAL . 24.3 Cg_exo -64.89 145.34 85.64 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.814 2.343 . . . . 0.0 112.196 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.552 ' HB1' HD12 ' B' ' 8' ' ' LEU . . . -62.66 -36.13 81.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.444 HE22 HG21 ' B' ' 70' ' ' VAL . 20.4 mp0 -62.66 -18.84 63.09 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.026 0.441 . . . . 0.0 111.112 -178.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.601 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 3.6 m-85 -79.83 -27.5 40.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.875 -176.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.718 HD13 HG23 ' A' ' 31' ' ' VAL . 45.0 mm -106.61 107.73 23.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.779 0.323 . . . . 0.0 111.02 -176.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -93.11 103.71 10.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 173.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.12 116.1 3.26 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.486 2.124 . . . . 0.0 112.346 -176.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 122.293 1.044 . . . . 0.0 110.083 179.362 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.488 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 21.5 ptt? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.571 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.6 mt-30 -76.3 131.86 39.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 170.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.494 ' HB ' HD21 ' B' ' 67' ' ' LEU . 36.9 pt -121.11 145.84 27.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -95.42 95.48 8.47 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.59 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.1 t -79.6 93.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' B' ' 7' ' ' THR . 12.3 tmtt? -98.84 105.13 17.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.235 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.579 HG23 HD22 ' B' ' 69' ' ' LEU . 70.1 p -66.8 165.91 14.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.598 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.871 HD13 ' HA ' ' A' ' 41' ' ' ASP . 8.4 tt -57.53 -53.25 60.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.2 p -68.91 -45.79 70.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.17 58.59 0.01 OUTLIER Glycine 0 C--O 1.228 -0.228 0 C-N-CA 119.19 -1.481 . . . . 0.0 114.47 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.4 mttp -121.75 114.78 21.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 169.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -96.8 93.43 6.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.126 0.488 . . . . 0.0 109.803 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.59 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 40.6 mt -94.21 107.58 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.783 -175.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -74.35 111.72 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.45 131.48 56.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.689 -176.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -89.56 106.71 18.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -134.86 155.37 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.386 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 43.0 mt-10 -93.95 172.14 8.42 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.4 -26.06 62.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -86.77 1.89 50.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.917 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -71.01 143.32 50.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.53 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 75.0 p -90.08 152.73 21.01 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.636 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 43.3 mm -60.16 -30.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -62.43 -48.03 81.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.939 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.14 -40.97 95.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.588 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 22' ' ' THR . 22.6 t -63.16 -41.57 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.125 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 90.3 mttt -57.73 -43.71 85.52 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -63.66 -39.53 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.761 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 96.9 mttt -64.51 -40.4 95.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.509 HD11 HG11 ' B' ' 5' ' ' VAL . 73.5 mt -71.81 -31.39 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.231 0.539 . . . . 0.0 110.281 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.494 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.8 tt0 -64.23 -31.74 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.05 175.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.67 -38.36 58.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 74.9 mmtt -68.05 -69.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.941 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -103.05 -12.3 17.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.608 -173.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.494 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.77 26.92 36.45 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.713 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.6 mt -87.62 126.99 60.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.661 -0.317 . . . . 0.0 110.195 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 32.0 Cg_exo -59.98 131.94 42.1 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.114 2.543 . . . . 0.0 112.687 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.461 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 32.9 Cg_exo -61.53 -34.82 84.62 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.349 2.699 . . . . 0.0 113.004 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 -31.48 68.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.229 0.537 . . . . 0.0 110.85 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.415 ' NE2' HD21 ' B' ' 71' ' ' LEU . 26.3 tt0 -79.57 -28.22 41.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -71.84 124.32 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -131.7 107.92 9.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.858 171.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.5 mp -88.46 145.19 25.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.32 -176.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.44 HG21 ' HZ ' ' A' ' 60' ' ' PHE . 74.1 mt -130.31 123.09 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.755 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -113.88 95.68 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.394 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.96 44.88 25.51 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.967 0.413 . . . . 0.0 112.071 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.24 -19.06 55.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.46 112.7 13.26 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.84 113.59 11.17 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 60.2 mt -94.02 90.79 6.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.451 . . . . 0.0 110.991 -176.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -84.17 149.57 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.721 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.636 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.5 p30 -69.65 168.82 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.47 -62.83 0.62 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.585 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -76.17 172.32 13.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.642 0.258 . . . . 0.0 110.805 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.8 p -97.01 171.0 8.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.491 HD13 HG21 ' B' ' 26' ' ' VAL . 7.5 mp -68.36 -26.15 65.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.096 0.474 . . . . 0.0 109.915 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -67.07 -35.92 80.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.209 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.56 -20.58 65.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.055 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -112.13 5.88 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.11 40.44 11.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.677 173.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -77.81 133.47 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -92.62 172.52 8.31 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.567 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.488 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 22.7 mmtm -71.9 144.57 48.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.201 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 57.91 32.55 22.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.516 0.674 . . . . 0.0 111.129 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -81.96 159.95 23.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -104.6 111.01 23.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.289 0.566 . . . . 0.0 111.008 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.494 HD21 ' HB ' ' B' ' 3' ' ' ILE . 2.9 mm? -96.32 115.41 27.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.497 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 89.5 m-70 -82.1 111.6 18.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.579 HD22 HG23 ' B' ' 7' ' ' THR . 54.8 tp -89.03 112.24 23.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.444 HG21 HE22 ' A' ' 59' ' ' GLN . 44.8 t -104.34 133.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.391 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.415 HD21 ' NE2' ' B' ' 40' ' ' GLN . 7.5 mp -89.48 133.85 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.963 0.411 . . . . 0.0 111.066 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -75.2 -23.66 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.368 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.466 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.328 178.375 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.6 -33.67 15.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.669 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -80.79 64.94 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.298 0.57 . . . . 0.0 109.591 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -91.66 -14.16 30.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.769 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 t -86.25 88.28 7.58 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.78 99.32 11.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.536 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -68.04 125.43 26.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.564 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -88.33 132.22 34.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.362 0.601 . . . . 0.0 112.201 -169.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -133.59 164.05 24.36 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.012 175.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -119.48 130.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 117.067 0.434 . . . . 0.0 109.943 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.552 HG22 ' HB ' ' A' ' 25' ' ' ILE . 1.9 p -81.69 121.64 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -93.49 -41.36 9.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -96.47 133.0 41.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.269 0.557 . . . . 0.0 111.782 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.617 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 14.4 t70 -80.42 97.36 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.827 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 90.2 t80 -113.33 118.09 33.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.324 -173.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.552 ' HA ' HG21 ' A' ' 24' ' ' THR . 26.5 mmt -90.13 121.23 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.869 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -93.89 131.95 38.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.46 -28.51 16.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.614 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -97.7 151.15 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.089 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.69 -27.0 63.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.244 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.92 -17.96 61.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.306 0.574 . . . . 0.0 110.142 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.651 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 51.4 mt-10 -95.42 151.58 19.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HB3' HG12 ' A' ' 56' ' ' VAL . 57.9 tp -106.03 123.28 47.74 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.615 -177.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.552 HG21 ' HA ' ' A' ' 16' ' ' MET . 91.3 m -74.43 108.5 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 173.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.552 ' HB ' HG22 ' A' ' 11' ' ' VAL . 22.4 pt -109.92 115.18 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.41 0.624 . . . . 0.0 111.023 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -85.24 129.37 34.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.762 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 43.0 t -57.98 120.9 9.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.251 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.67 -6.65 35.79 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.566 -0.825 . . . . 0.0 113.329 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.55 -169.24 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.291 0.546 . . . . 0.0 110.336 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -117.65 139.35 51.13 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.16 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.739 HG22 HD12 ' A' ' 61' ' ' ILE . 23.5 m -131.59 147.69 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 110.864 177.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CE2' HG23 ' A' ' 48' ' ' VAL . 46.4 m-85 -100.59 130.53 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.972 174.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -82.6 106.28 13.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.648 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -78.04 -64.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.616 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.61 ' H ' ' HB2' ' A' ' 44' ' ' MET . 6.0 t0 -130.38 136.43 49.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.727 175.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -134.75 9.22 3.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.497 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HZ1' ' CG ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -128.63 -13.27 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.444 -176.388 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -62.85 -41.83 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 109.326 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -138.21 158.81 43.56 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.122 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -95.65 -42.53 8.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.532 ' HA ' HD22 ' B' ' 8' ' ' LEU . 5.1 m-20 -77.93 -49.72 13.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.965 0.412 . . . . 0.0 111.436 -175.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -111.1 132.81 53.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.389 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -113.57 164.55 13.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.61 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 70.3 mmm -95.31 110.85 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.574 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.411 ' SG ' HG13 ' A' ' 61' ' ' ILE . 98.1 m -121.56 152.33 39.35 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -127.69 125.27 39.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.834 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.424 HD21 HG11 ' A' ' 31' ' ' VAL . 68.2 mt -63.84 125.44 24.39 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.59 HG23 ' CE2' ' A' ' 32' ' ' TYR . 77.8 t -58.0 -44.14 86.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.796 -176.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -87.8 -49.86 6.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.407 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.31 -30.2 67.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.525 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.21 88.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.695 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -82.49 132.41 35.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -112.53 148.9 33.52 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.83 -178.5 48.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.848 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.23 134.52 33.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 23' ' ' LEU . 26.7 m -139.5 156.65 71.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.971 175.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.463 ' HB3' HG21 ' B' ' 70' ' ' VAL . 29.7 Cg_exo -62.95 133.55 42.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.545 2.163 . . . . 0.0 112.172 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.34 -48.7 65.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.627 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 5.3 pt20 -84.26 20.71 1.56 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -104.58 -13.11 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.739 HD12 HG22 ' A' ' 31' ' ' VAL . 51.0 mm -115.25 124.36 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.261 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -116.41 114.75 40.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 37.7 Cg_exo -59.9 135.56 64.0 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 -177.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.441 ' C ' ' H ' ' A' ' 66' ' ' ASP . 4.7 p -75.89 154.54 6.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 70.14 -42.86 0.53 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.557 0.743 . . . . 0.0 111.913 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 31.1 t70 -49.33 -71.73 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 123.402 0.681 . . . . 0.0 112.293 -176.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HG2' ' OD2' ' A' ' 66' ' ' ASP . 73.2 mmtt -129.17 13.06 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.079 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -91.45 -16.83 26.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.81 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -151.51 98.6 2.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.306 0.574 . . . . 0.0 110.869 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 m -115.36 6.59 14.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.548 1.166 . . . . 0.0 108.063 173.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 C--O 1.245 0.839 0 CA-C-N 114.044 -1.434 . . . . 0.0 109.773 -175.812 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.457 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 19.7 ptt? . . . . . 0 CA--C 1.5 -0.953 0 CA-C-O 121.761 0.791 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -119.06 122.14 41.44 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.623 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.2 pt -117.35 140.51 39.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.687 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.38 93.79 9.66 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.725 HG11 HG13 ' B' ' 13' ' ' ILE . 2.7 p -87.77 106.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.171 0.986 . . . . 0.0 109.681 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 48.7 tttp -98.39 108.19 20.83 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.238 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.596 HG22 HD22 ' B' ' 69' ' ' LEU . 39.1 p -67.85 155.84 38.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.627 ' HA ' ' NE2' ' A' ' 59' ' ' GLN . 6.4 tt -65.66 -22.86 66.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.023 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -74.9 -11.43 60.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 111.575 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.26 5.07 43.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.769 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.468 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 21.5 tptp -85.85 93.5 8.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 4.0 m -88.55 107.43 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.098 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.725 HG13 HG11 ' B' ' 5' ' ' VAL . 12.6 pt -113.89 142.87 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.053 0.454 . . . . 0.0 111.349 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -91.44 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.901 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.776 HD11 HG11 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -101.45 125.56 48.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -173.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' B' ' 1' ' ' MET . 13.0 tp10 -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.699 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.776 HG11 HD11 ' B' ' 15' ' ' LEU . 0.5 OUTLIER -143.8 155.22 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.635 -176.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.414 ' N ' HG22 ' B' ' 17' ' ' VAL . 1.0 OUTLIER -79.67 145.79 32.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.649 -178.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -59.28 -23.46 62.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -103.78 11.14 36.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.543 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.01 146.62 41.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.657 0.265 . . . . 0.0 110.494 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 36.4 p -77.96 154.22 31.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.094 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.48 HG13 ' HB3' ' B' ' 50' ' ' LEU . 49.5 mm -61.22 -30.74 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.28 -51.05 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.608 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.575 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.6 t30 -68.91 -32.97 72.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.553 ' HA ' ' HD2' ' B' ' 29' ' ' LYS . 73.3 t -59.46 -44.18 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.332 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 99.1 mttt -63.35 -36.05 82.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.838 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -62.11 -41.03 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.978 0.418 . . . . 0.0 110.357 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 53.0 mttm -63.64 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.406 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.68 -33.81 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.054 0.454 . . . . 0.0 110.381 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.455 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 63.9 tt0 -66.96 -26.51 66.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.18 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.89 -42.67 23.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.205 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' B' ' 33' ' ' LYS . 14.6 tppt? -65.81 -66.96 0.48 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -102.48 -31.69 10.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.095 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.94 65.5 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.392 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.448 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 32.4 mt -123.61 133.46 24.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -55.71 124.63 16.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.96 2.44 . . . . 0.0 112.611 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.51 -42.76 64.75 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.616 2.877 . . . . 0.0 113.957 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.02 -36.82 80.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.337 0.589 . . . . 0.0 110.603 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.415 ' HG3' ' HB3' ' B' ' 74' ' ' ARG . 26.3 tt0 -72.24 -19.99 61.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.265 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.477 ' HB3' HD11 ' B' ' 69' ' ' LEU . 48.9 mt-30 -90.01 119.47 30.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.977 -174.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.502 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 79.8 mtt180 -115.26 108.49 16.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.046 172.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.529 ' HG ' HD12 ' B' ' 69' ' ' LEU . 6.0 mp -86.71 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.85 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.0 mt -119.08 119.79 61.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -118.82 116.79 27.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.219 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 20.06 10.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.957 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.617 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 97.94 -2.13 59.85 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -97.16 118.21 33.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.386 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.502 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 28.3 tt0 -77.77 127.65 32.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.48 ' HB3' HG13 ' B' ' 23' ' ' ILE . 26.0 mt -90.49 130.49 36.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.884 -172.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -83.24 149.54 26.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.446 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 2.2 m-20 -60.79 -43.79 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.565 -177.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.58 -0.6 80.2 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 121.093 -0.575 . . . . 0.0 114.062 -172.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -105.95 159.72 15.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.208 0.504 . . . . 0.0 110.279 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.0 p -97.78 178.26 5.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.81 -27.39 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.037 0.446 . . . . 0.0 110.189 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -77.3 -31.56 54.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.049 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.98 -27.47 69.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.356 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -107.32 4.22 26.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.783 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 t30 56.04 68.26 0.89 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.626 0.726 . . . . 0.0 110.901 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -111.78 112.5 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.286 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -78.44 159.56 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.945 0.403 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.457 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 9.5 ptpp? -68.39 161.45 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 59.53 32.49 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.459 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -102.61 165.35 11.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.873 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -107.42 110.28 22.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.108 0.48 . . . . 0.0 110.884 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.76 138.9 37.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.648 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -96.05 123.83 39.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.596 HD22 HG22 ' B' ' 7' ' ' THR . 37.2 tp -102.92 101.62 11.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.219 0.533 . . . . 0.0 110.332 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.463 HG21 ' HB3' ' A' ' 57' ' ' PRO . 46.4 t -98.67 127.05 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.587 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.42 151.86 22.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' B' ' 74' ' ' ARG . 82.5 mtp180 -71.64 176.11 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.918 174.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.8 mt -83.49 22.43 1.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.542 0.687 . . . . 0.0 109.601 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.451 ' H ' ' C ' ' B' ' 72' ' ' ARG . 19.1 tpt85 -72.44 -32.66 66.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.925 178.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.52 34.65 5.27 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.966 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 CA-C-O 118.354 -1.248 . . . . 0.0 111.447 179.32 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.817 0.341 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.45 -13.2 52.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.644 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -68.91 111.23 4.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.719 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -123.88 134.72 53.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.936 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -100.1 -64.1 1.07 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.043 0.449 . . . . 0.0 110.214 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -150.8 162.91 39.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.868 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 52.0 mttp -68.4 119.29 12.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -177.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.43 150.07 26.27 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 153.3 24.49 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.606 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.575 HG12 HG22 ' A' ' 64' ' ' VAL . 42.6 mm -109.59 129.59 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 p -84.89 114.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.154 0.502 . . . . 0.0 110.163 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -84.87 -45.9 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.055 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 80.2 m-85 -109.28 135.09 50.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.304 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.97 149.7 49.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.075 -176.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB3' HG12 ' A' ' 25' ' ' ILE . 64.3 t80 -139.47 118.38 12.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.664 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.681 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.3 ptp -101.4 131.14 47.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.066 0.46 . . . . 0.0 109.989 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -97.96 146.06 25.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.284 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -103.58 -25.36 13.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -109.17 144.9 36.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -74.01 -8.54 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.417 0.627 . . . . 0.0 110.21 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.89 -26.96 64.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.412 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.615 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 44.0 mt-10 -95.51 148.72 22.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.003 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.485 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 44.4 tp -103.23 111.18 23.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 111.128 -173.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.681 HG23 ' HA ' ' A' ' 16' ' ' MET . 29.5 m -68.04 111.52 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.446 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.6 pt -120.75 146.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.25 -175.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HZ2' ' HB2' ' A' ' 26' ' ' LYS . 8.9 mtmp? -114.01 145.88 40.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 p -59.82 121.98 13.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.29 -14.88 27.94 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.666 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -70.44 153.84 42.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.293 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.722 ' HB2' ' HB ' ' A' ' 48' ' ' VAL . 41.8 mmtm -100.81 130.14 46.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG12 HD23 ' A' ' 47' ' ' LEU . 23.2 m -131.25 148.43 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.201 0.524 . . . . 0.0 112.141 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.539 ' CD2' HG21 ' A' ' 48' ' ' VAL . 7.4 m-85 -98.49 128.1 44.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.43 170.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.403 HG22 ' HB3' ' A' ' 36' ' ' ASP . 51.2 mt -83.34 95.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 84.0 mt -66.2 -58.68 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.836 -176.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.501 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.7 m-20 -126.01 99.84 6.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.743 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.403 ' HB3' HG22 ' A' ' 33' ' ' ILE . 7.7 p-10 -91.22 -13.06 33.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.974 174.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.99 9.54 42.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.836 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 23.7 ttpp -78.2 -49.21 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.473 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 42' ' ' TRP . 21.5 m -145.85 178.44 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -175.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.29 -38.93 14.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.01 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -108.69 -36.13 6.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.798 -172.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.453 ' HB2' HD13 ' B' ' 73' ' ' LEU . 83.1 m95 -110.82 122.55 48.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -113.33 166.81 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.482 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 82.6 mmm -96.06 126.0 40.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 64.7 m -131.14 146.03 52.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.218 0.532 . . . . 0.0 111.495 177.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -121.65 129.2 52.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.619 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.414 HD23 HG12 ' A' ' 31' ' ' VAL . 93.9 mt -63.58 120.86 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.529 0.204 . . . . 0.0 111.009 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.722 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 81.0 t -67.03 -31.06 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 0.0 109.951 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.16 3.19 31.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.774 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.5 t -149.93 -62.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.98 -13.26 9.14 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.737 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.52 139.94 57.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -121.32 161.32 22.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.556 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 179.99 177.7 48.15 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.223 -0.989 . . . . 0.0 112.815 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.47 131.85 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.64 0.257 . . . . 0.0 110.794 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.445 HG22 ' SG ' ' A' ' 45' ' ' CYS . 34.9 m -136.89 151.5 72.4 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 3.0 Cg_exo -76.54 128.02 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.921 2.414 . . . . 0.0 111.962 176.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.44 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.443 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.741 ' HB3' ' HB3' ' B' ' 8' ' ' LEU . 7.0 pt20 -66.01 -8.38 22.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.12 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 13' ' ' TYR . 22.1 m-30 -113.63 -4.32 13.48 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.982 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -117.54 132.26 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -127.29 119.36 21.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.96 134.03 57.61 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.898 2.399 . . . . 0.0 112.634 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.575 HG22 HG12 ' A' ' 10' ' ' ILE . 48.6 t -66.21 129.85 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.209 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 73.75 -23.53 0.22 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.799 0.687 . . . . 0.0 111.258 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 64' ' ' VAL . 4.9 t70 71.92 138.06 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.876 0.87 . . . . 0.0 113.058 174.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -159.37 29.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.321 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.42 141.09 43.27 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.065 -174.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -86.08 93.88 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -84.78 138.03 32.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.428 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.448 -0.787 . . . . 0.0 109.557 179.725 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.466 ' HG3' ' HA ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.069 0.461 . . . . 0.0 110.654 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 77.0 mt-30 -83.65 142.13 31.01 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 177.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.415 HG22 ' SD ' ' B' ' 1' ' ' MET . 26.8 pt -123.66 139.71 49.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 167.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.417 ' HB2' HG23 ' B' ' 66' ' ' THR . 87.3 m-85 -96.93 106.59 18.95 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.883 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' B' ' 12' ' ' THR . 59.9 t -85.71 101.27 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.618 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -107.71 119.81 40.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p -79.86 167.97 19.86 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 59' ' ' GLN . 1.8 pp -75.78 -5.64 46.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.901 0.382 . . . . 0.0 111.333 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 p -89.36 -40.13 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.384 . . . . 0.0 110.315 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.18 -15.55 1.7 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.817 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.425 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 27.1 mtpp -63.29 107.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.706 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 4.6 m -119.85 105.16 10.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.248 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.415 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.4 pt -106.77 138.41 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.928 0.394 . . . . 0.0 111.232 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -86.57 118.66 26.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.391 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 tp -116.65 119.29 35.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.698 0.285 . . . . 0.0 111.131 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 tp10 -79.49 101.25 8.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.235 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.17 -157.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.466 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 5.6 tp10 -151.94 153.13 33.49 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.144 174.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.593 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 6.8 p -65.48 -24.25 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.38 13.85 12.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -101.26 171.08 7.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 38.8 p -102.4 148.08 25.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.67 0.271 . . . . 0.0 111.186 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -34.78 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.04 -45.53 86.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.161 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.56 -36.96 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.468 ' O ' HG13 ' B' ' 30' ' ' ILE . 88.7 t -60.89 -42.21 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.518 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 93.0 mttt -54.73 -44.93 73.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.442 . . . . 0.0 110.807 176.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -64.37 -36.41 84.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.409 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.7 mtpp -69.82 -29.34 66.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.233 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.3 mt -72.77 -38.84 58.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -62.21 -35.84 80.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.523 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 27.9 t70 -58.79 -28.92 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.942 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -80.69 -67.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.739 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.425 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 35.5 mt-10 -121.02 17.01 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.31 43.14 98.86 Favored Glycine 0 C--N 1.324 -0.13 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.137 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.7 mt -94.45 119.68 66.09 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.51 124.77 17.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.124 2.549 . . . . 0.0 112.882 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.6 Cg_exo -52.13 -39.33 71.07 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.609 2.873 . . . . 0.0 113.433 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.42 -17.14 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 111.176 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' B' ' 40' ' ' GLN . 3.4 tt0 -95.5 -5.25 43.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.601 -176.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -103.28 139.1 39.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.451 ' HD2' ' HB3' ' B' ' 49' ' ' GLN . 15.8 tpp180 -129.02 103.81 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.514 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.44 132.61 34.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.282 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.61 122.83 68.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.998 0.427 . . . . 0.0 110.749 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.444 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 88.6 t80 -122.22 116.61 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.203 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 22.95 13.72 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.357 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 16' ' ' MET . . . 95.19 -3.81 66.91 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.143 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.566 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.7 ttmm -96.39 125.32 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.789 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.451 ' HB3' ' HD2' ' B' ' 42' ' ' ARG . 45.5 mt-30 -79.25 138.2 37.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.083 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.6 mt -97.82 125.95 42.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.08 166.02 11.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.518 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 8.0 m-20 -77.63 168.99 19.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.068 0.461 . . . . 0.0 111.413 -177.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.96 -47.45 2.94 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.093 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.401 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 9.0 mmm180 -78.55 163.95 25.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 31.9 p -96.03 168.08 10.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.593 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 3.4 mm? -63.59 -40.2 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.588 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.537 ' HG ' ' HB2' ' B' ' 19' ' ' SER . 74.6 m -62.93 -27.47 69.4 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.521 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.52 -34.85 77.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.566 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 94.7 m-85 -91.34 10.61 26.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.147 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m120 66.52 27.04 9.82 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.82 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.41 HD13 HD12 ' B' ' 56' ' ' LEU . 59.0 mt -79.15 138.81 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.902 0.382 . . . . 0.0 110.225 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -104.93 -175.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.664 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.428 ' HG2' ' HG2' ' B' ' 1' ' ' MET . 67.8 mttm -84.84 138.78 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.289 175.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 34.3 mt-10 68.7 25.02 6.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.293 0.568 . . . . 0.0 110.702 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.444 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 13.8 p -86.52 163.14 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.417 HG23 ' HB2' ' B' ' 4' ' ' PHE . 29.0 m -111.1 133.01 53.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.056 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.93 150.23 40.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.327 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -92.63 127.98 38.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.254 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.74 106.87 17.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.203 0.525 . . . . 0.0 110.404 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.84 153.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.32 153.0 17.89 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.544 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' B' ' 74' ' ' ARG . 40.8 mtm180 -88.21 119.51 28.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.292 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 42' ' ' TRP . 83.9 mt -78.01 23.32 0.27 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.308 0.575 . . . . 0.0 110.528 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.503 ' H ' ' C ' ' B' ' 72' ' ' ARG . 23.1 mtp180 -116.73 10.43 14.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.895 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.38 57.8 0.61 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.615 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 119.107 -0.83 . . . . 0.0 111.061 -178.749 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptp . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.681 0.277 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.61 -26.38 21.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.625 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m 63.16 86.46 0.12 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.192 0.52 . . . . 0.0 110.393 -177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -97.9 119.41 36.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.094 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 m -151.06 106.36 3.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.448 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -80.05 97.79 6.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.637 0.732 . . . . 0.0 109.647 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.642 ' HG3' ' HB ' ' A' ' 33' ' ' ILE . 9.3 ptmt -88.57 149.6 23.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.375 -173.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -91.42 142.54 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.05 144.48 15.05 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.055 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.744 HG12 ' HG2' ' A' ' 30' ' ' LYS . 50.8 mt -110.81 113.24 43.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.32 122.47 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.116 0.484 . . . . 0.0 110.344 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.67 -30.57 17.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.038 -173.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' HB2' ' HD1' ' A' ' 60' ' ' PHE . 70.6 m-85 -127.97 151.69 48.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 -174.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.75 144.7 43.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.04 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 59.7 t80 -146.22 118.73 8.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.752 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.497 ' HA ' HG22 ' A' ' 24' ' ' THR . 86.8 mtp -85.32 145.9 27.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.757 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.621 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -115.23 149.27 38.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -102.67 -25.87 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.725 0.297 . . . . 0.0 111.003 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 t -129.26 169.28 15.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.548 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -75.23 -15.07 60.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.25 -35.31 79.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.538 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 36.3 mt-10 -92.41 175.65 6.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.083 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD22 ' HG ' ' A' ' 47' ' ' LEU . 66.3 tp -132.09 125.33 31.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.128 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 16' ' ' MET . 21.8 m -76.88 103.56 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.578 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.0 pt -100.47 147.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.161 -175.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -104.88 138.7 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.763 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -65.16 106.13 1.24 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.82 5.4 27.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.014 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -94.9 173.67 7.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.744 ' HG2' HG12 ' A' ' 10' ' ' ILE . 36.0 mtmm -120.95 140.41 51.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.532 HG13 HD22 ' A' ' 47' ' ' LEU . 35.7 m -132.23 153.21 37.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.82 -178.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.433 ' CE2' HG21 ' A' ' 48' ' ' VAL . 46.7 m-85 -97.34 128.54 44.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.642 ' HB ' ' HG3' ' A' ' 7' ' ' LYS . 64.5 mt -85.32 105.57 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 3.5 mm? -66.27 -54.8 20.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.103 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -140.64 135.3 31.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.25 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -105.16 -22.62 13.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.394 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HZ3' ' HB2' ' A' ' 37' ' ' LYS . 10.3 mtmp? -120.2 3.39 10.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.179 -168.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -61.23 -45.32 95.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.253 0.549 . . . . 0.0 109.911 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 35.0 m -106.3 -89.88 0.43 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.465 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 39' ' ' SER . 76.4 tttt 165.17 -55.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.863 0.727 . . . . 0.0 109.541 175.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.1 -46.63 8.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.767 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -93.73 131.99 38.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.091 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -116.01 164.89 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.546 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 42.7 mtp -99.61 126.43 45.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.427 ' SG ' HG12 ' A' ' 33' ' ' ILE . 84.8 m -138.98 161.48 37.26 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.198 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 42.3 tt0 -132.4 129.13 38.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.154 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.532 HD22 HG13 ' A' ' 31' ' ' VAL . 95.4 mt -66.95 124.12 22.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.433 HG21 ' CE2' ' A' ' 32' ' ' TYR . 57.7 t -59.15 -50.25 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.364 0.415 . . . . 0.0 111.441 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -82.98 -51.89 7.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -64.85 -28.4 69.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.638 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.18 66.14 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.561 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -116.72 125.29 51.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.627 0.251 . . . . 0.0 110.662 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 18.9 t -109.0 148.41 30.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.246 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.25 -175.57 41.96 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.67 131.59 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.436 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 35.9 m -131.15 153.56 81.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 8.4 Cg_exo -73.55 126.53 10.96 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.87 2.38 . . . . 0.0 111.593 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' B' ' 8' ' ' LEU . . . -55.61 -27.59 50.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.537 HE22 ' HB3' ' B' ' 68' ' ' HIS . 7.6 pt20 -63.76 -12.1 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.603 ' HD1' ' HB2' ' A' ' 13' ' ' TYR . 44.4 m-85 -104.34 -7.3 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.704 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.433 HG23 HD12 ' A' ' 33' ' ' ILE . 46.5 mm -105.43 130.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 111.688 -174.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -105.09 107.29 58.52 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.183 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.47 115.13 2.29 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.69 2.26 . . . . 0.0 112.167 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 64' ' ' VAL . 12.6 p -102.89 37.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.983 0.896 . . . . 0.0 110.233 -175.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -56.48 -71.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.331 173.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -151.48 4.85 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.152 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -78.37 -44.86 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.739 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -84.13 -30.09 26.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.5 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.8 m80 63.71 -174.62 0.16 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.867 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -101.21 29.95 4.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.461 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.678 179.461 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.79 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 22.8 ptt? . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.155 0.502 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.38 127.91 34.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.439 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.421 HD11 HD11 ' B' ' 67' ' ' LEU . 35.9 pt -116.51 138.13 48.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.97 96.21 7.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.214 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.744 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.5 t -80.57 97.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.851 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.62 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.0 mttm -98.72 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.122 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.491 HG21 HD21 ' B' ' 69' ' ' LEU . 70.9 p -71.49 168.55 17.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.511 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.622 HD11 HG22 ' B' ' 70' ' ' VAL . 8.4 tt -61.13 -30.22 70.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.5 p -77.12 -7.69 56.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.2 27.03 22.06 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.263 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 14.0 mmmm -94.42 135.65 35.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -103.35 106.69 17.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.869 0.366 . . . . 0.0 110.792 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.744 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 67.8 mt -100.36 109.16 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.222 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -87.94 112.59 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.93 134.38 55.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -175.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -94.76 102.78 14.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.51 156.93 42.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.803 0.335 . . . . 0.0 110.689 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.39 158.46 15.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.786 0.327 . . . . 0.0 110.549 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 4.4 p -71.8 -20.78 61.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.302 176.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -76.35 -10.78 59.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.029 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -88.92 160.25 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 40.5 p -93.41 156.47 16.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.793 0.33 . . . . 0.0 111.262 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.53 HG23 ' HE3' ' B' ' 27' ' ' LYS . 49.0 mm -60.37 -37.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.594 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.98 -47.52 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.149 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.571 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 22.8 t30 -74.77 -34.02 62.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -174.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.57 HG23 HD11 ' B' ' 56' ' ' LEU . 74.5 t -64.77 -41.33 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 110.223 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.53 ' HE3' HG23 ' B' ' 23' ' ' ILE . 97.5 mttt -60.88 -40.16 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -74.47 -21.01 59.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 69.0 mttm -66.97 -43.36 83.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.165 0.507 . . . . 0.0 109.65 170.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.81 -32.03 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.059 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 21.5 tm0? -65.47 -32.58 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.642 175.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.44 -34.1 69.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -77.98 -72.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.287 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.44 -23.92 20.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 111.639 -174.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.92 40.9 6.08 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.128 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -103.25 121.8 47.46 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.81 131.84 48.45 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.008 2.472 . . . . 0.0 112.29 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.407 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 46.9 Cg_exo -57.56 -39.14 90.79 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.141 2.561 . . . . 0.0 112.756 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.582 . . . . 0.0 110.366 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -78.49 -13.71 59.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.695 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.24 121.01 33.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -121.11 108.1 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.2 mt -83.15 136.29 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 61.7 mt -117.45 117.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.484 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -112.87 99.29 7.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.234 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 25.47 11.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.483 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.69 -26.57 9.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.103 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 28.8 mtpp -71.83 134.73 46.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 111.053 -177.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -89.83 114.27 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.957 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.1 mp -86.35 104.76 16.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -91.43 170.1 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.374 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.458 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 4.2 m-20 -81.24 169.79 16.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.624 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.18 -24.55 31.81 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.815 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.401 ' HD2' ' CG ' ' B' ' 58' ' ' ASP . 38.3 mmt180 -108.7 169.7 8.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.083 0.468 . . . . 0.0 111.877 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.1 p -95.7 178.5 5.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.493 175.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.57 HD11 HG23 ' B' ' 26' ' ' VAL . 6.6 mp -76.04 -23.17 55.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 110.052 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.2 t -68.92 -35.55 76.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.03 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 31.2 m-20 -62.5 -35.35 79.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.441 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -89.78 6.08 43.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m120 62.34 33.05 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.647 0.592 . . . . 0.0 111.066 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.458 HD13 HD22 ' B' ' 50' ' ' LEU . 69.8 mt -72.98 135.85 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -114.59 -178.68 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.79 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 37.8 mtmm -71.04 140.55 50.79 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.804 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 63.74 33.29 13.06 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.891 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -76.9 146.14 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.279 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -95.37 106.6 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.71 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.421 HD11 HD11 ' B' ' 3' ' ' ILE . 95.3 mt -103.72 119.33 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.537 ' HB3' HE22 ' A' ' 59' ' ' GLN . 40.7 m-70 -89.87 126.44 35.71 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.672 178.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.491 HD21 HG21 ' B' ' 7' ' ' THR . 53.1 tp -96.73 103.61 15.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.622 HG22 HD11 ' B' ' 8' ' ' LEU . 4.8 p -98.16 136.43 29.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.26 140.67 29.24 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.243 0.544 . . . . 0.0 111.674 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.416 ' C ' ' H ' ' B' ' 74' ' ' ARG . 37.1 ttt180 -77.39 127.42 32.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 173.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.78 13.15 0.54 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -174.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.416 ' H ' ' C ' ' B' ' 72' ' ' ARG . 16.8 ttm180 -146.79 90.84 1.95 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.93 10.14 40.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.354 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.902 -0.943 . . . . 0.0 111.566 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.872 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 7.2 mmt . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.7 0.286 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.17 -175.95 5.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 m 65.41 -166.72 0.22 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.659 0.6 . . . . 0.0 110.594 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' HD2' ' HA ' ' A' ' 4' ' ' LYS . 30.2 tptt -119.46 159.31 24.51 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -72.38 -17.87 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.785 0.326 . . . . 0.0 111.32 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.579 ' HD3' ' HA ' ' A' ' 34' ' ' LEU . 97.4 mttt -119.48 173.21 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 -177.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 47.3 mtpt -99.93 175.11 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.052 0.453 . . . . 0.0 112.009 -169.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -127.91 149.17 50.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.119 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.8 166.24 34.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.192 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.527 HG12 ' HD2' ' A' ' 30' ' ' LYS . 62.4 mt -131.1 130.07 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.495 HG21 HD11 ' A' ' 25' ' ' ILE . 7.7 p -80.34 129.82 36.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.329 0.585 . . . . 0.0 110.699 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -95.74 -16.2 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.896 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.403 ' O ' HG23 ' A' ' 11' ' ' VAL . 96.8 m-85 -122.75 -174.91 3.03 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -102.26 163.67 12.11 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' HB3' HG12 ' A' ' 25' ' ' ILE . 61.8 t80 -156.05 116.01 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.022 0.439 . . . . 0.0 110.804 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mmm -94.39 120.2 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.979 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -94.54 157.07 16.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -130.87 -33.97 1.53 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.104 0.478 . . . . 0.0 109.944 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.604 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 12.3 t -84.42 152.32 24.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.592 -174.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.84 -20.61 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.596 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.622 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 55.4 mt-10 -81.53 170.98 15.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.126 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.672 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 45.5 tp -135.97 116.49 13.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.612 0.244 . . . . 0.0 110.809 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.8 m -71.93 113.85 9.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.529 177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.495 HD11 HG21 ' A' ' 11' ' ' VAL . 24.1 pt -123.49 153.32 29.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.263 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -118.28 157.32 27.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.209 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.21 112.94 1.71 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.72 0.13 29.0 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.227 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.96 145.05 54.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 111.061 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.527 ' HD2' HG12 ' A' ' 10' ' ' ILE . 13.5 tptp -96.04 118.26 32.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.337 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.48 153.48 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 112.485 -174.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 25.5 m-85 -97.63 132.88 42.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.668 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.551 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.3 mt -87.15 96.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.579 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 56.5 mt -71.94 -59.62 2.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.297 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -137.69 124.12 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.265 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.491 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 6.4 p-10 -121.02 25.64 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.583 0.706 . . . . 0.0 109.482 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -117.24 -29.15 5.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.391 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -37.71 81.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 111.026 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 169.01 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -109.04 3.39 22.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.761 0.791 . . . . 0.0 109.667 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.666 ' HB3' HD11 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -120.71 -63.44 1.35 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.074 -173.393 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.492 ' HB3' ' HG ' ' A' ' 55' ' ' LEU . 80.6 m95 -98.61 123.53 42.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CE2' ' HB2' ' A' ' 36' ' ' ASP . 40.9 m0 -115.47 162.1 17.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.289 -176.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.542 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 69.7 mmm -92.31 106.57 18.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.733 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 87.1 m -115.96 141.08 48.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.096 0.474 . . . . 0.0 110.296 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -119.49 129.1 54.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.531 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HG ' HD23 ' A' ' 23' ' ' LEU . 88.4 mt -64.64 116.84 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 32' ' ' TYR . 89.1 t -53.23 -55.12 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.76 -18.52 58.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.863 0.363 . . . . 0.0 111.905 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -102.9 -30.41 10.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.92 -172.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.04 -11.11 65.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -73.99 121.22 20.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.1 m -102.41 143.62 31.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.516 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.672 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -155.45 177.83 32.41 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.769 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.492 ' HG ' ' HB3' ' A' ' 42' ' ' TRP . 20.1 tp -97.46 122.35 40.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -177.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.1 158.89 74.3 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.623 0.249 . . . . 0.0 111.146 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.85 129.8 13.83 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.997 2.465 . . . . 0.0 112.48 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.09 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.611 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -75.88 12.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.28 -6.28 4.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.06 128.48 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.622 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.584 ' HG3' ' HB3' ' A' ' 68' ' ' LYS . 7.8 tp10 -108.44 104.21 53.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.27 147.88 83.93 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.963 2.442 . . . . 0.0 112.268 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.428 ' HB ' ' HG2' ' A' ' 68' ' ' LYS . 7.5 p -123.16 117.71 52.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -103.99 -64.24 1.12 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -122.88 -43.01 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 168.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -138.22 135.23 35.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.584 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 10.1 mtmp? -64.91 -46.96 79.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.2 0.524 . . . . 0.0 110.886 -176.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 118.13 18.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.72 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 p -63.97 -32.98 74.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.151 0.501 . . . . 0.0 110.088 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.032 172.502 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.417 ' HG2' ' HA ' ' B' ' 18' ' ' GLU . 6.3 ptm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.365 0.602 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.467 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 78.0 mt-30 -93.97 128.35 40.25 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.909 177.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.437 HD11 HD13 ' B' ' 67' ' ' LEU . 27.5 pt -117.55 142.61 30.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.025 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -96.72 93.84 6.95 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.31 119.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.667 0.746 . . . . 0.0 110.568 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -103.34 114.66 29.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.736 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.599 HG21 HD22 ' B' ' 69' ' ' LEU . 80.9 p -74.1 178.14 5.24 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' A' ' 41' ' ' ASP . 3.5 tt -50.48 -52.22 40.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.396 176.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -26.24 65.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.854 -173.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.12 -6.4 12.03 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.462 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.405 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.0 tptm -58.65 114.49 2.52 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.208 -0.496 . . . . 0.0 110.08 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.8 m -97.97 118.32 34.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.966 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.65 122.09 68.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.2 m -80.23 110.91 16.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.55 HD11 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.16 129.49 55.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 -172.824 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.76 107.49 18.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.163 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.55 HG13 HD11 ' B' ' 15' ' ' LEU . 34.6 m -134.05 -177.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.337 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 47.7 mt-10 -128.9 170.91 12.83 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 5.5 p -66.79 -32.74 74.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.162 0.506 . . . . 0.0 110.25 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -79.56 -4.57 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.111 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.572 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -66.64 144.16 56.56 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.029 175.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG21 ' B' ' 26' ' ' VAL . 31.8 p -87.05 149.32 24.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.514 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 50.1 mm -55.9 -34.37 37.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 36.8 t70 -72.63 -32.11 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.104 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -65.05 -39.37 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.348 0.594 . . . . 0.0 109.579 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.416 HG21 ' O ' ' B' ' 22' ' ' THR . 16.3 t -63.78 -39.7 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.654 176.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 95.9 mttt -56.47 -47.42 79.26 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.557 175.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -60.41 -40.34 90.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.935 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.406 ' HB3' HD12 ' B' ' 15' ' ' LEU . 99.6 mttt -66.59 -29.21 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -80.71 -40.99 19.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.012 0.434 . . . . 0.0 110.47 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.65 -34.78 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.433 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.34 -25.81 50.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.028 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -107.82 -60.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.881 -174.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.409 ' HB3' HG13 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -88.19 -13.4 41.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.764 0.316 . . . . 0.0 111.804 -176.281 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.07 60.55 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.663 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 62.6 mt -89.01 118.49 69.27 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.486 0.184 . . . . 0.0 110.568 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.524 ' HB2' ' OD1' ' B' ' 39' ' ' ASP . 9.3 Cg_endo -54.14 135.26 63.87 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.173 2.582 . . . . 0.0 112.494 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -57.05 -33.57 95.97 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.399 2.732 . . . . 0.0 113.004 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.524 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 16.8 p-10 -72.11 -23.93 61.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.653 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 8.5 tt0 -82.87 -26.82 31.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.29 0.567 . . . . 0.0 110.144 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -77.59 111.42 13.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.17 -175.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -113.4 112.79 24.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.9 mm? -86.67 134.59 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -177.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -124.74 128.48 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.131 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -112.76 94.63 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.331 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.53 17.22 4.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.509 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.01 -24.4 6.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.365 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.663 ' HB2' ' HZ2' ' B' ' 48' ' ' LYS . 4.7 ttmp? -85.42 118.1 24.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -73.82 136.01 43.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 41.7 mt -106.96 113.76 27.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.36 151.71 20.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.746 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.459 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.2 p-10 -74.07 159.14 33.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.49 13.14 68.39 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -171.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -134.28 157.89 45.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -102.58 170.45 8.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.7 mp -72.6 -28.24 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -62.04 -37.54 85.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.66 -53.23 60.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.449 -176.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -84.73 3.4 37.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.297 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 54.22 65.25 1.56 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 111.039 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.9 mt -94.14 122.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.01 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -72.94 164.58 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.534 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.27 156.84 20.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 38.3 mt-10 64.96 22.66 12.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.387 0.613 . . . . 0.0 109.937 -176.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 p -82.97 163.61 20.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.36 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -109.76 125.45 52.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.437 HD13 HD11 ' B' ' 3' ' ' ILE . 88.9 mt -115.71 140.31 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.017 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -98.83 130.47 45.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.718 0.294 . . . . 0.0 110.224 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.599 HD22 HG21 ' B' ' 7' ' ' THR . 56.4 tp -106.1 98.47 8.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.404 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.14 130.3 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' B' ' 8' ' ' LEU . 2.9 mm? -92.95 125.99 37.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.323 0.583 . . . . 0.0 111.697 -171.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.653 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 65.7 ttt180 -72.38 112.94 8.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.11 55.89 0.59 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -165.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 43.93 80.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.346 1.058 . . . . 0.0 112.529 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.37 -151.84 13.44 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.476 -1.18 . . . . 0.0 111.568 178.51 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.794 0.331 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.95 86.02 6.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.157 0.503 . . . . 0.0 111.055 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m -124.75 148.28 48.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.033 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp 64.69 83.13 0.17 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.676 0.61 . . . . 0.0 110.505 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -126.08 -35.95 2.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.374 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 33' ' ' ILE . 71.6 mmtt 62.74 -167.3 0.21 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.814 177.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.6 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 61.9 mttp -86.49 160.78 18.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -109.43 145.42 36.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.68 149.6 21.58 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.526 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.494 HG13 HG22 ' A' ' 64' ' ' VAL . 68.9 mt -115.33 111.74 36.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.558 HG23 HD12 ' A' ' 25' ' ' ILE . 2.9 p -72.11 133.81 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 111.173 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.41 -35.7 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.959 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -100.73 150.75 22.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 0.0 111.054 -176.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.413 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 11.2 m-20 -87.12 91.68 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.92 126.71 34.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.293 -174.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -93.82 123.19 37.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 124.35 32.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.804 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -76.89 -66.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.054 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -83.63 170.3 14.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.72 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -77.59 -20.84 53.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 109.924 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.99 -20.84 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.983 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -91.63 158.35 16.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.573 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.607 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.2 tp -125.38 126.28 44.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 0.0 111.455 -176.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -73.64 112.92 10.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.26 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.558 HD12 HG23 ' A' ' 11' ' ' VAL . 7.7 pt -116.45 144.57 23.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -105.6 143.04 34.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.923 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -58.38 116.98 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.062 0.458 . . . . 0.0 110.553 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.19 -10.29 31.35 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.714 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.35 146.06 55.04 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.149 0.5 . . . . 0.0 110.679 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 48' ' ' VAL . 10.9 tppt? -97.69 118.53 34.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.604 HG12 HD22 ' A' ' 47' ' ' LEU . 35.3 m -124.61 150.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.281 0.563 . . . . 0.0 111.692 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -98.35 134.4 41.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.359 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.6 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 49.7 mt -93.22 100.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.897 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.44 -63.95 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.547 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.613 ' H ' ' HB2' ' A' ' 44' ' ' MET . 47.9 t0 -112.2 125.66 54.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.441 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.2 p-10 -137.4 -26.65 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -172.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.29 -22.12 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.068 -0.395 . . . . 0.0 111.873 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -36.8 74.82 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -136.82 118.87 15.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.788 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -90.36 -6.24 55.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.097 0.475 . . . . 0.0 110.566 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.681 ' HA ' HD13 ' B' ' 8' ' ' LEU . 4.1 m-20 -84.66 -49.76 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -131.37 127.63 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.984 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.423 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 35.9 m0 -101.97 157.46 16.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.032 0.444 . . . . 0.0 111.614 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.613 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.6 mmm -92.4 102.04 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.995 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.569 ' SG ' HD22 ' A' ' 23' ' ' LEU . 29.6 p -100.57 146.81 26.65 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.485 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 50.0 tt0 -125.67 124.99 42.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.0 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 HG12 ' A' ' 31' ' ' VAL . 90.9 mt -76.12 133.93 40.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 30' ' ' LYS . 80.7 t -69.5 -36.81 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.84 -70.73 0.19 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 p -77.05 -50.64 12.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.904 0.383 . . . . 0.0 111.41 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.55 -0.25 29.24 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.367 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.6 155.76 40.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.636 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -131.19 160.85 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.607 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -179.44 169.3 40.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.866 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.96 130.94 35.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.626 0.251 . . . . 0.0 110.682 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 25' ' ' ILE . 27.1 m -140.2 157.18 69.43 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.308 177.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.4 131.22 44.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.796 2.33 . . . . 0.0 112.511 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.44 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.225 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.528 HE22 HG21 ' B' ' 70' ' ' VAL . 11.9 pm0 -85.01 3.76 37.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.859 0.361 . . . . 0.0 111.361 -174.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -91.59 -9.2 45.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.073 0.464 . . . . 0.0 110.271 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.428 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 41.4 mm -111.12 126.58 68.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.433 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -92.65 107.88 27.48 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 61' ' ' ILE . 27.3 Cg_exo -62.18 129.03 25.63 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.298 1.998 . . . . 0.0 111.054 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.494 HG22 HG13 ' A' ' 10' ' ' ILE . 4.9 t -76.01 78.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.785 0.802 . . . . 0.0 109.79 -177.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 38.8 ttt-85 -163.91 -54.58 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.103 -1.408 . . . . 0.0 107.32 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -170.47 -173.16 1.37 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.293 -1.321 . . . . 0.0 108.41 173.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.698 ' HB3' ' HZ2' ' A' ' 67' ' ' LYS . 7.0 ttpm? -69.75 -19.12 63.54 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 63.8 tttm 59.43 42.17 18.29 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.574 0.702 . . . . 0.0 110.228 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.518 ' HB2' ' HE2' ' A' ' 67' ' ' LYS . 15.7 t60 -97.14 135.02 39.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.795 -175.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.2 p 49.16 93.9 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.228 0.955 . . . . 0.0 113.053 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 C--O 1.244 0.79 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.821 -179.755 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.457 ' HB2' ' HG2' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -128.7 141.91 51.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.383 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.487 HD12 HD12 ' B' ' 67' ' ' LEU . 37.3 pt -125.41 158.34 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -106.03 107.54 18.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.119 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.3 t -84.54 98.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -101.73 110.23 22.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.717 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.604 HG21 HD22 ' B' ' 69' ' ' LEU . 62.5 p -82.61 -174.45 5.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.496 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.681 HD13 ' HA ' ' A' ' 41' ' ' ASP . 25.3 mt -74.11 -31.71 62.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.539 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 p -90.41 9.09 30.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.901 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.09 49.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.753 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -62.86 117.34 6.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.871 0.367 . . . . 0.0 110.201 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 17.2 m -123.88 114.11 19.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.415 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 pt -108.76 145.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.451 . . . . 0.0 111.283 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -90.62 112.02 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.689 HD11 HG12 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -106.8 128.12 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.876 -172.173 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -80.47 106.38 12.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.472 0.653 . . . . 0.0 111.015 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.689 HG12 HD11 ' B' ' 15' ' ' LEU . 15.8 m -141.64 153.08 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.927 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' B' ' 19' ' ' SER . 4.6 tp10 -111.62 173.24 6.44 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.446 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 7.2 m -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 0.0 110.409 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -81.27 -8.77 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.968 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -70.19 128.1 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.177 0.513 . . . . 0.0 110.904 -178.311 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.468 ' O ' HG21 ' B' ' 26' ' ' VAL . 9.9 p -81.29 151.11 28.22 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.962 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.538 HG23 ' HE3' ' B' ' 27' ' ' LYS . 43.1 mm -57.04 -40.42 72.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.677 0.275 . . . . 0.0 110.583 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.56 -43.96 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.409 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -70.19 -39.36 75.27 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.525 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.468 HG21 ' O ' ' B' ' 22' ' ' THR . 48.9 t -58.84 -42.47 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.538 ' HE3' HG23 ' B' ' 23' ' ' ILE . 98.6 mttt -58.3 -45.26 88.34 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.194 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.5 p -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 111.189 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.423 ' HB3' HD12 ' B' ' 15' ' ' LEU . 95.3 mttt -67.15 -38.99 86.44 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.4 mt -71.0 -35.25 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.94 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.42 -24.31 66.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.08 -32.13 66.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 0.0 110.546 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -92.68 -63.05 1.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.729 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.37 -24.11 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.03 45.6 25.62 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.076 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.9 130.34 23.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.54 129.93 37.34 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.964 2.443 . . . . 0.0 112.385 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.75 -27.47 85.02 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.281 2.654 . . . . 0.0 112.622 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.7 -35.56 80.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.358 0.599 . . . . 0.0 110.678 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.45 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 23.5 tt0 -81.9 -31.59 31.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.997 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.441 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 49.4 mt-30 -79.89 121.16 25.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.037 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -131.92 116.61 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.355 0.598 . . . . 0.0 110.435 166.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.418 HD13 HD11 ' B' ' 67' ' ' LEU . 63.9 mt -81.18 132.61 35.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.289 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 55.1 mt -119.51 126.12 75.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.018 0.437 . . . . 0.0 110.257 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -127.8 116.16 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.2 25.88 15.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.44 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 98.41 -14.17 62.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.754 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -85.95 129.38 34.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -86.94 115.8 24.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.446 HD21 HD12 ' B' ' 61' ' ' ILE . 10.0 mp -70.29 112.9 6.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.518 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 9.3 tp10 -64.88 146.98 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.584 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.37 -37.42 77.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.709 -174.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.04 26.21 25.18 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.294 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.518 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 10.3 mmt180 -107.39 170.39 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.078 0.439 . . . . 0.0 111.159 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -106.94 167.63 9.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.12 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.56 -26.4 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.026 0.441 . . . . 0.0 110.446 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 34.3 t -69.42 -34.43 74.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.719 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -64.27 -36.35 83.8 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.849 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.408 ' CZ ' ' HA ' ' B' ' 50' ' ' LEU . 82.5 m-85 -90.92 1.68 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 58.86 71.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.814 0.816 . . . . 0.0 110.267 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.446 HD12 HD21 ' B' ' 50' ' ' LEU . 69.2 mt -110.93 125.22 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.708 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -99.28 -176.17 3.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.457 ' HG2' ' HB2' ' B' ' 1' ' ' MET . 8.6 mtmp? -67.95 140.74 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.695 0.283 . . . . 0.0 111.27 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 67.33 20.18 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.575 171.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.6 m -70.86 133.09 46.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.712 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.3 m -88.78 114.79 25.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.866 0.365 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.487 HD12 HD12 ' B' ' 3' ' ' ILE . 81.6 mt -97.37 129.35 44.63 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.782 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.402 ' HB3' HE21 ' A' ' 59' ' ' GLN . 91.6 m-70 -85.62 109.12 18.34 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.604 HD22 HG21 ' B' ' 7' ' ' THR . 43.8 tp -83.67 104.18 13.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.024 0.44 . . . . 0.0 110.573 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.528 HG21 HE22 ' A' ' 59' ' ' GLN . 44.8 t -101.11 132.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.45 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 2.8 mm? -97.02 132.62 42.64 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.265 0.555 . . . . 0.0 111.074 -173.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -85.05 130.85 34.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.48 90.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.464 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -136.49 107.45 6.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.651 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.24 73.99 1.93 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.873 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.524 -1.153 . . . . 0.0 111.767 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.1 -44.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.438 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 51.58 85.99 0.04 OUTLIER 'General case' 0 C--O 1.237 0.398 0 O-C-N 124.009 0.818 . . . . 0.0 111.084 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp 63.47 89.42 0.09 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.982 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -73.41 148.77 43.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.276 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.733 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -78.84 149.42 32.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.311 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.68 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 91.4 mttt -86.68 157.59 19.63 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 8' ' ' ARG . 62.0 mtt85 -126.66 141.21 51.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.57 178.94 30.27 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.95 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -131.33 135.57 59.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.418 HG11 ' O ' ' A' ' 29' ' ' ASP . 2.4 p -76.19 122.91 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 110.294 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -98.09 -29.76 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.015 -172.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -119.44 158.46 26.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.974 0.416 . . . . 0.0 111.214 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.536 ' HB3' ' HA3' ' B' ' 47' ' ' GLY . 18.7 t0 -80.36 123.91 28.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.691 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.543 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 79.4 t80 -128.51 110.18 12.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.958 0.408 . . . . 0.0 111.293 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.706 ' HA ' HG21 ' A' ' 24' ' ' THR . 25.4 ptm -91.08 130.42 36.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.841 173.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -90.71 153.81 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.64 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HG2' ' NH2' ' B' ' 42' ' ' ARG . 11.4 pt-20 -116.93 -12.24 10.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.038 0.447 . . . . 0.0 109.975 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 m -121.63 157.01 31.74 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.899 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -74.08 -25.9 60.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.45 -23.33 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.639 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 45.1 mt-10 -77.26 171.41 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.147 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.539 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 50.3 tp -127.56 109.74 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.428 177.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.706 HG21 ' HA ' ' A' ' 16' ' ' MET . 33.7 m -64.95 105.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.944 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.543 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 15.1 pt -109.21 138.52 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.3 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -106.61 127.59 53.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.852 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -52.12 132.44 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.414 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -14.19 30.77 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.115 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' HG11 ' A' ' 11' ' ' VAL . 37.3 t0 -86.62 153.13 22.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 110.074 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' O ' HG21 ' A' ' 48' ' ' VAL . 80.9 tttt -91.54 137.05 32.67 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.572 HG21 HD12 ' A' ' 61' ' ' ILE . 16.3 m -129.78 147.6 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.389 0.614 . . . . 0.0 111.678 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.532 ' CE2' HG22 ' A' ' 48' ' ' VAL . 60.4 m-85 -98.53 123.72 42.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.482 173.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.68 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.8 mt -84.92 102.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.995 0.426 . . . . 0.0 109.947 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 89.0 mt -66.54 -46.82 74.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.836 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.551 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 5.8 t0 -153.31 142.63 21.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.062 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -110.48 -11.49 14.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.217 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 55.0 mtmt -141.71 27.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.848 -173.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.551 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 28.1 mmtm -69.97 -47.49 62.07 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 m -105.54 -5.81 19.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.554 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.613 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 80.6 tttt 70.17 -69.45 0.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.084 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.514 ' HB3' HD21 ' B' ' 8' ' ' LEU . 21.1 m-20 -79.57 -17.6 53.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.59 0.71 . . . . 0.0 110.227 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.407 ' HH2' ' OE2' ' A' ' 22' ' ' GLU . 12.0 m95 -115.85 132.94 56.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.954 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -111.03 159.07 18.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.244 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.423 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 18.9 mtp -108.21 112.7 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.9 m -124.69 148.13 48.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.068 0.461 . . . . 0.0 111.615 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 5.6 tt0 -121.85 129.76 52.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.213 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.568 HD21 HG12 ' A' ' 31' ' ' VAL . 90.8 mt -68.58 134.91 50.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.532 HG22 ' CE2' ' A' ' 32' ' ' TYR . 73.6 t -63.2 -51.21 74.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -69.56 -60.88 2.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.875 0.369 . . . . 0.0 111.481 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.3 p -74.16 -39.55 63.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.03 4.18 60.16 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.037 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -66.98 121.91 16.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.304 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 2.6 m -116.29 135.74 53.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.19 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.539 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -163.68 -176.26 35.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.62 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.63 132.13 35.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.818 0.342 . . . . 0.0 110.693 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.93 154.69 77.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 49.3 Cg_endo -71.64 142.76 40.64 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.403 2.069 . . . . 0.0 112.398 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -25.77 67.8 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 47.7 mt-30 -70.34 -3.76 18.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 4.1 m-85 -114.87 -8.2 12.57 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.985 -170.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.572 HD12 HG21 ' A' ' 31' ' ' VAL . 44.1 mm -115.65 127.85 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 111.13 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.57 108.29 58.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.483 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.577 ' HD2' ' HD2' ' A' ' 68' ' ' LYS . 32.0 Cg_exo -59.04 127.4 24.1 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.473 2.115 . . . . 0.0 111.533 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m -91.84 28.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.726 -173.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -77.42 85.46 3.81 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 65.84 -87.99 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.905 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -147.22 -7.47 0.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -176.774 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.577 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 51.0 mtpt 69.45 115.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.296 0.57 . . . . 0.0 110.98 -176.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -98.73 81.52 2.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.701 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.3 m 58.45 64.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.78 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.463 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 26.6 tt0 . . . . . 0 C--O 1.243 0.724 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.709 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.42 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 121.193 0.521 . . . . 0.0 110.574 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 94.6 mt-30 -81.62 140.28 34.52 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.886 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -117.79 143.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.415 171.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -99.06 92.64 5.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.708 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.731 HG11 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -89.67 109.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.673 0.749 . . . . 0.0 110.192 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.8 mttp -95.8 113.63 25.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.815 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.576 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 81.2 p -71.9 159.64 33.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.849 -177.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 41' ' ' ASP . 3.2 tt -58.99 -33.66 70.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.15 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -66.33 -36.8 83.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.35 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.12 47.39 0.2 Allowed Glycine 0 CA--C 1.505 -0.544 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.762 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 16.4 tppt? -128.7 112.96 14.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.603 0.24 . . . . 0.0 110.577 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.2 m -83.09 95.93 8.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.438 . . . . 0.0 110.122 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.731 ' HB ' HG11 ' B' ' 5' ' ' VAL . 62.2 mt -90.7 136.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.309 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -99.04 113.07 25.09 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -117.75 135.19 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.788 -175.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -92.27 105.92 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.34 179.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 28.5 tt0 -122.18 151.06 41.39 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.915 -0.491 . . . . 0.0 110.469 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -58.79 -28.5 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.06 12.65 27.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.549 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -80.93 161.14 24.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.687 178.375 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.0 p -87.56 152.61 22.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.624 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.1 mm -60.92 -30.75 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.42 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.073 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -61.84 -45.86 91.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.745 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 65.2 t -58.83 -45.83 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.734 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 83.5 mttt -58.74 -42.65 89.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.314 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 t -65.1 -39.0 92.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.455 . . . . 0.0 110.766 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.424 ' HB3' HD12 ' B' ' 15' ' ' LEU . 30.2 mtpp -70.42 -29.0 65.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.7 mt -74.76 -35.63 37.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.32 -32.21 71.01 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.176 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.79 -33.5 74.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.321 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -87.34 -58.78 2.46 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.636 -174.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -91.79 -15.34 28.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 35.52 63.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.23 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.415 HG21 HE21 ' B' ' 40' ' ' GLN . 59.7 mt -106.02 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -177.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.89 131.37 34.17 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.168 2.578 . . . . 0.0 112.777 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.431 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 23.9 Cg_exo -64.24 -30.37 64.22 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.182 2.588 . . . . 0.0 112.496 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.52 -24.97 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.17 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.415 HE21 HG21 ' B' ' 36' ' ' ILE . 28.0 tt0 -90.02 -36.44 14.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.679 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.46 ' HB3' HD12 ' B' ' 69' ' ' LEU . 26.6 mt-30 -63.74 117.12 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.531 ' NH2' ' HG2' ' A' ' 18' ' ' GLU . 60.5 mtp180 -119.96 120.51 36.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.809 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.7 mt -97.53 132.72 42.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.22 128.47 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.186 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -130.64 114.21 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.958 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.59 18.86 9.9 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.536 ' HA3' ' HB3' ' A' ' 14' ' ' ASP . . . 99.85 -10.3 60.48 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -87.68 129.41 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.72 123.33 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.7 mp -82.5 105.61 13.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.992 0.425 . . . . 0.0 110.392 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -89.9 133.99 34.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.624 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.7 p-10 -76.51 141.61 41.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.13 -173.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.08 -30.15 6.7 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -89.23 -178.19 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 48.3 p -107.99 168.85 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.54 176.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.438 HD11 ' O ' ' B' ' 18' ' ' GLU . 97.3 mt -68.65 -23.15 64.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.226 0.536 . . . . 0.0 110.303 176.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.1 t -71.11 -21.61 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.49 -33.67 74.18 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' B' ' 50' ' ' LEU . 62.1 m-85 -106.17 11.19 31.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 52.57 48.91 21.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.236 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.34 126.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -90.1 -176.14 4.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.246 -176.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 93.7 mttt -74.65 146.38 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.952 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 67.43 24.39 8.84 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 172.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -79.99 151.34 30.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.432 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -98.58 129.48 45.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.144 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 77.8 mt -117.35 142.91 46.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.429 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -103.75 127.14 51.25 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.283 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.576 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 62.1 tp -97.91 107.21 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.189 0.519 . . . . 0.0 111.118 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.2 t -104.84 123.79 59.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.534 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.12 138.82 41.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -67.61 -25.77 65.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.087 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 23.8 tp 56.88 44.39 23.27 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.388 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -85.26 72.3 10.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.885 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.59 -72.83 0.7 Allowed Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.756 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 118.009 -1.439 . . . . 0.0 111.075 179.041 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.895 0.379 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.35 119.08 34.18 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -56.4 -62.16 1.91 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.015 0.436 . . . . 0.0 109.847 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -142.2 -75.27 0.29 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 173.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -145.77 -49.56 0.23 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 169.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -135.73 153.7 51.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 169.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.717 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 43.6 mttp -84.85 165.24 17.89 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.506 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -126.03 140.56 52.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.104 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.25 167.3 29.02 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.44 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.512 ' CD1' ' HB ' ' A' ' 64' ' ' VAL . 2.4 mp -113.51 125.38 70.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 p -75.73 116.59 18.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.422 0.63 . . . . 0.0 110.432 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.446 ' OE1' ' HE2' ' A' ' 68' ' ' LYS . 15.6 mm100 -83.6 -36.86 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.927 -172.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.8 147.01 49.55 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.196 -0.201 . . . . 0.0 110.75 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.08 149.66 47.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.005 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.568 ' HB3' HG12 ' A' ' 25' ' ' ILE . 71.0 t80 -144.34 109.94 5.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.861 0.363 . . . . 0.0 110.316 177.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.3 mmt -89.64 107.72 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.622 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -77.02 177.71 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.724 -175.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -141.62 -41.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.113 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -86.91 170.32 11.73 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -78.0 -17.2 57.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.382 . . . . 0.0 110.396 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.72 -36.81 78.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.579 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 1.7 mp0 -87.86 148.32 24.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.08 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.535 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 60.0 tp -111.69 127.8 55.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.291 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -73.08 101.24 3.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.568 HG12 ' HB3' ' A' ' 15' ' ' PHE . 20.6 pt -103.09 145.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -114.11 128.34 56.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.124 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.6 t -55.38 122.08 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.16 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.81 -3.84 45.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.691 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.24 178.5 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -112.2 120.42 41.72 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 28.7 m -122.14 137.39 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.4 0.619 . . . . 0.0 112.255 -177.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CD2' HG23 ' A' ' 48' ' ' VAL . 10.5 m-85 -87.95 117.65 26.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.616 170.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.717 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 60.8 mt -82.29 106.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 61.8 mt -69.25 -41.57 76.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.837 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 13.6 t70 -161.48 141.03 10.27 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.999 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' A' ' 33' ' ' ILE . 13.9 p-10 -138.76 19.14 2.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.839 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -123.88 -34.35 3.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.028 -172.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 43.6 mmtm -65.83 -27.42 68.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.684 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -133.85 145.76 49.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.95 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -92.76 -27.22 17.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -81.81 -69.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.471 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -104.81 137.96 41.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.916 0.389 . . . . 0.0 110.48 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.5 m0 -113.54 161.7 17.06 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.513 ' HG3' ' HB2' ' A' ' 34' ' ' LEU . 7.4 ptp -113.88 123.8 50.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.177 178.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.55 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 29.4 p -125.09 164.24 20.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.455 -178.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 26.0 tt0 -133.37 122.27 23.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.883 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD22 HG11 ' A' ' 31' ' ' VAL . 89.8 mt -60.73 123.7 18.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.574 HG23 ' CD2' ' A' ' 32' ' ' TYR . 97.3 t -60.33 -47.6 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -41.95 62.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.683 0.278 . . . . 0.0 110.947 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -83.38 -31.72 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.717 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.93 34.73 58.67 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.662 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 46' ' ' GLN . 26.6 mtpp -112.68 134.55 54.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -118.44 149.95 40.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.535 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -175.52 -178.87 45.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.41 136.82 32.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.477 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.89 157.65 71.27 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.278 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.571 ' HB3' HG22 ' B' ' 70' ' ' VAL . 24.0 Cg_exo -64.06 132.31 33.88 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.431 2.087 . . . . 0.0 111.839 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -28.94 62.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 111.726 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.73 0.44 17.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.9 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -110.44 -5.69 15.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.463 HD11 HG23 ' A' ' 31' ' ' VAL . 43.2 mm -120.43 138.14 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.199 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 9.6 tp10 -115.17 106.76 50.77 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.682 173.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 62' ' ' GLU . 18.0 Cg_endo -60.79 128.5 25.82 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.72 2.28 . . . . 0.0 111.774 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.512 ' HB ' ' CD1' ' A' ' 10' ' ' ILE . 4.8 p -102.54 148.42 7.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.038 0.447 . . . . 0.0 110.598 -175.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.851 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 12.9 ptm180 -140.68 -82.15 0.24 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.985 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.851 ' H ' ' HG3' ' A' ' 65' ' ' ARG . 6.9 m-20 -92.03 -44.97 8.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -165.73 155.84 12.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.816 -1.083 . . . . 0.0 108.922 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.446 ' HE2' ' OE1' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -112.88 -7.34 13.76 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.822 171.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -84.27 123.43 30.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.1 t -166.08 -177.47 4.19 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.674 179.768 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.744 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.192 0.52 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -87.73 134.17 33.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.553 ' HB ' HD12 ' B' ' 67' ' ' LEU . 34.6 pt -118.51 135.13 59.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 172.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -89.06 101.87 14.52 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -87.97 99.01 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.212 0.529 . . . . 0.0 110.671 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -81.9 109.24 16.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.505 174.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.56 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 47.4 p -79.21 153.6 29.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.934 0.397 . . . . 0.0 110.343 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.495 HD22 ' O ' ' B' ' 8' ' ' LEU . 5.3 tt -65.25 -20.57 66.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.694 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.8 p -78.17 -3.8 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.401 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 30.0 8.12 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.775 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' OG1' ' B' ' 7' ' ' THR . 48.6 mmtm -116.12 169.66 9.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -142.22 107.75 5.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.6 mt -108.26 113.33 43.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.695 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.0 m -72.16 112.32 8.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.841 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.621 HD12 HG11 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -112.28 124.61 52.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.58 113.57 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.413 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.621 HG11 HD12 ' B' ' 15' ' ' LEU . 12.0 m -140.86 157.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.683 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.609 ' O ' HD12 ' B' ' 56' ' ' LEU . 3.0 mp0 -104.19 161.96 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 14.4 m -66.1 -19.0 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -77.4 -14.35 59.73 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.35 146.11 50.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.131 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.765 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.3 p -88.48 158.76 18.24 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 30.6 mm -57.88 -30.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 173.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.52 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 24.1 t70 -62.55 -46.96 85.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.837 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 54.3 t30 -72.97 -33.81 66.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.579 HG21 ' O ' ' B' ' 22' ' ' THR . 47.1 t -62.33 -41.76 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 87.5 mttt -57.17 -40.87 78.18 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.391 174.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.7 t -63.44 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.7 mttt -73.46 -27.93 61.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 26' ' ' VAL . 62.8 mt -78.1 -32.52 17.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.29 0.566 . . . . 0.0 109.687 173.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.7 -29.78 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.675 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.93 -16.77 62.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.737 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.689 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -87.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -105.31 -15.08 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.98 66.75 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.538 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.35 124.63 91.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.631 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 22.5 Cg_endo -61.38 143.75 97.93 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.357 2.038 . . . . 0.0 111.841 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.2 Cg_exo -61.18 -27.0 83.21 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.015 2.477 . . . . 0.0 113.213 -177.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.474 ' CG ' HH21 ' B' ' 74' ' ' ARG . 13.3 t70 -65.75 -45.86 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.688 0.28 . . . . 0.0 111.213 -175.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.65 HE21 HD12 ' B' ' 71' ' ' LEU . 14.4 pt20 -80.53 1.86 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -176.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -99.41 123.56 43.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.727 0.298 . . . . 0.0 111.1 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -128.65 121.17 27.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -96.58 136.77 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.701 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.408 ' N ' HD13 ' B' ' 44' ' ' ILE . 4.2 mp -122.76 121.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 22.4 t80 -111.07 98.73 7.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.44 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.4 22.32 10.76 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.159 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 -10.6 27.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.597 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -84.02 139.2 32.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.514 0.197 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -79.19 117.5 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.636 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.64 HD22 HD12 ' B' ' 61' ' ' ILE . 10.0 mp -119.4 99.69 6.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.036 0.446 . . . . 0.0 110.996 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -119.7 166.78 12.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.52 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 7.1 p-10 -68.41 147.37 52.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.11 0.481 . . . . 0.0 111.135 -173.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.21 -42.14 1.92 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -84.91 160.69 20.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.332 . . . . 0.0 110.108 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.765 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.1 p -101.05 172.03 7.26 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.609 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.2 mt -74.5 -19.18 60.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.216 0.531 . . . . 0.0 109.736 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -80.82 -27.35 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -54.96 -60.94 2.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -83.91 -12.63 55.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.146 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 63.27 90.92 0.08 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.64 HD12 HD22 ' B' ' 50' ' ' LEU . 58.3 mt -101.33 144.31 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.84 -170.38 2.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.744 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 10.4 mtmp? -92.69 143.67 26.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.576 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.99 26.01 12.69 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.813 0.696 . . . . 0.0 111.152 173.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 18.7 m -80.19 155.61 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.3 m -100.34 126.42 46.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 111.316 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.553 HD12 ' HB ' ' B' ' 3' ' ' ILE . 7.7 mp -117.37 143.58 45.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -103.95 127.84 51.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.605 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.56 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 63.1 tp -94.18 108.37 20.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 57' ' ' PRO . 65.7 t -105.52 122.08 58.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.65 HD12 HE21 ' B' ' 40' ' ' GLN . 3.3 mm? -82.94 156.64 23.38 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.198 0.523 . . . . 0.0 111.291 -174.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -109.96 149.15 30.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.85 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt -93.54 18.3 10.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.474 HH21 ' CG ' ' B' ' 39' ' ' ASP . 13.2 ttp180 -89.06 90.6 8.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.06 0.457 . . . . 0.0 110.053 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.49 65.97 1.48 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.679 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.347 0 CA-C-O 118.534 -1.148 . . . . 0.0 111.759 -178.837 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptp . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.31 94.76 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.786 0.679 . . . . 0.0 111.61 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -96.04 4.02 52.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.175 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 38.8 mtmt -88.33 61.15 6.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.079 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 m -64.81 -47.78 76.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.117 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -139.83 150.62 44.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -175.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -54.77 132.31 45.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -93.45 168.55 10.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.294 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.16 151.94 24.15 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.963 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' HB ' ' HD3' ' A' ' 68' ' ' LYS . 62.3 mt -119.39 120.93 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -78.19 136.07 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 111.887 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.735 HE21 ' HG3' ' A' ' 62' ' ' GLU . 79.9 mm-40 -74.49 -66.32 0.75 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.487 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.5 m-85 -96.84 -170.02 1.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.872 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -94.69 161.82 14.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.48 ' HB3' HG12 ' A' ' 25' ' ' ILE . 43.8 t80 -147.51 107.2 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.502 ' HA ' HG21 ' A' ' 24' ' ' THR . 66.2 mtt -93.73 105.2 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.859 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -76.63 156.17 32.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.88 -174.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.8 -33.36 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -94.5 153.92 17.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.896 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -71.41 -16.49 62.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.428 -175.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -84.64 -14.56 48.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.626 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 48.0 mt-10 -90.86 161.66 15.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.763 0.316 . . . . 0.0 110.309 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.504 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.4 tp -117.88 116.91 27.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.865 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.58 ' HG1' ' HB1' ' A' ' 17' ' ' ALA . 22.3 m -75.19 117.74 17.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.666 HG23 HD23 ' A' ' 47' ' ' LEU . 31.5 pt -133.47 161.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.425 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -113.95 158.97 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.132 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -66.95 117.85 9.6 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.866 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.88 -0.17 30.28 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 140.98 38.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.815 0.34 . . . . 0.0 110.36 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -85.54 132.95 34.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.982 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 45' ' ' CYS . 10.4 m -133.21 149.95 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.472 ' CD2' HG22 ' A' ' 48' ' ' VAL . 37.7 m-85 -97.15 135.93 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 168.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.48 ' CG2' ' HB3' ' A' ' 36' ' ' ASP . 30.1 mt -94.9 107.99 20.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -76.38 -78.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.611 ' H ' ' HB2' ' A' ' 44' ' ' MET . 17.4 t70 -93.9 106.74 18.69 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.48 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 7.2 p-10 -123.87 4.89 8.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.549 175.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.51 -62.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.997 -172.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -78.33 -49.11 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -80.36 131.41 35.62 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -115.44 -25.45 7.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.237 0.541 . . . . 0.0 110.169 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.685 ' HA ' HD21 ' B' ' 8' ' ' LEU . 3.2 m-20 -79.11 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.079 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -125.35 151.62 45.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.382 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.2 m0 -123.18 149.33 44.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.774 0.321 . . . . 0.0 110.293 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.611 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 73.1 mtp -87.89 129.29 35.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.483 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 87.2 m -138.47 159.3 42.43 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.72 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -132.84 125.2 29.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.834 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.666 HD23 HG23 ' A' ' 25' ' ' ILE . 97.5 mt -61.18 126.61 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.528 0.518 . . . . 0.0 110.509 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 HG22 ' CD2' ' A' ' 32' ' ' TYR . 90.1 t -67.43 -34.49 68.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 110.79 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.675 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 p -86.46 -31.14 21.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -172.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 15.52 52.94 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.433 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.511 ' HB2' HD13 ' A' ' 47' ' ' LEU . 29.6 mtpp -83.5 133.01 34.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 t -117.26 157.98 25.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.758 0.313 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.504 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 171.88 -173.31 45.06 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.183 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.88 137.14 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.77 148.91 67.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.363 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.497 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 23.6 Cg_exo -64.46 131.39 29.71 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.458 2.105 . . . . 0.0 111.851 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.84 -14.98 63.3 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.483 ' CD ' ' HA ' ' B' ' 8' ' ' LEU . 38.2 mt-30 -78.73 -9.23 59.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 111.045 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 13' ' ' TYR . 29.9 m-85 -105.3 -13.76 15.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.607 -174.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mm -106.11 129.37 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.735 ' HG3' HE21 ' A' ' 12' ' ' GLN . 6.3 mm-40 -109.21 104.94 56.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.062 172.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.52 135.84 72.24 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.618 2.212 . . . . 0.0 111.628 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.489 HG21 HG13 ' A' ' 10' ' ' ILE . 4.8 t -82.47 49.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.588 0.709 . . . . 0.0 111.671 -171.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -103.27 -37.55 7.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 163.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -83.03 -176.42 6.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.807 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -111.85 30.34 7.09 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.874 -177.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HD3' ' HB ' ' A' ' 10' ' ' ILE . 11.4 mtmt 63.21 94.33 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.532 -175.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -163.45 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.133 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m 48.86 76.2 0.13 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.75 0.786 . . . . 0.0 111.629 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--O 1.243 0.751 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.05 -177.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.723 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 121.63 0.728 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -103.91 130.07 51.48 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.243 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.542 HD12 HD13 ' B' ' 67' ' ' LEU . 31.2 pt -117.34 148.58 20.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.918 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.01 100.36 11.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.916 0.388 . . . . 0.0 110.445 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.7 t -83.38 97.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.436 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -92.51 101.98 14.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.589 HG21 HD22 ' B' ' 69' ' ' LEU . 61.5 p -70.98 165.17 23.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.129 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.685 HD21 ' HA ' ' A' ' 41' ' ' ASP . 5.7 tt -62.82 -31.73 72.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.868 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.1 p -70.3 -27.59 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.761 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.65 -2.57 11.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.672 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -76.68 122.55 24.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -103.66 93.3 4.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -93.92 125.24 46.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.593 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -89.43 112.04 23.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.901 0.381 . . . . 0.0 109.976 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.3 128.64 54.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.421 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.17 106.42 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.622 173.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.17 -175.15 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.464 -175.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -123.06 156.22 35.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.42 ' HA ' ' HE2' ' B' ' 1' ' ' MET . 4.8 m -65.88 -35.12 79.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.486 . . . . 0.0 110.624 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -89.15 8.09 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.737 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.24 136.96 36.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 62.8 p -81.3 151.3 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 0.0 111.741 -173.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.635 HD13 HD22 ' B' ' 50' ' ' LEU . 42.6 mm -55.5 -34.45 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.41 -39.69 85.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.479 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 31.6 t-20 -70.49 -34.89 72.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.856 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.521 HG21 ' O ' ' B' ' 22' ' ' THR . 24.6 t -67.67 -38.67 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -57.66 -45.67 85.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.095 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.2 p -68.56 -33.99 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 63.2 mttp -59.49 -45.27 92.17 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.62 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.0 mt -67.95 -39.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.618 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.81 -30.81 70.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.3 -24.12 64.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.51 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -87.12 -69.79 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -104.06 6.14 35.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.65 26.74 73.57 Favored Glycine 0 CA--C 1.516 0.112 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.96 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -76.7 118.25 70.38 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.854 -0.203 . . . . 0.0 110.828 -177.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.427 ' HD2' ' NE2' ' B' ' 40' ' ' GLN . 51.0 Cg_exo -54.6 134.0 59.79 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.016 2.478 . . . . 0.0 112.446 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -58.94 -36.17 97.32 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.414 2.742 . . . . 0.0 113.264 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.85 -33.39 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.217 0.532 . . . . 0.0 110.978 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.427 ' NE2' ' HD2' ' B' ' 37' ' ' PRO . 7.3 tt0 -74.46 -26.85 60.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -77.94 120.06 22.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.96 -175.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -125.36 114.31 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.12 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.411 ' HB3' HD23 ' B' ' 50' ' ' LEU . 98.8 mt -88.43 127.82 35.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.57 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.524 HD12 HG23 ' B' ' 70' ' ' VAL . 73.2 mt -117.5 119.02 60.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.41 177.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.436 ' HD2' ' HD2' ' B' ' 48' ' ' LYS . 61.3 t80 -107.65 97.48 7.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.157 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.37 19.49 7.75 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.976 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.59 -18.69 11.74 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.166 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.436 ' HD2' ' HD2' ' B' ' 45' ' ' PHE . 62.1 mttm -75.7 133.79 40.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.654 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -88.32 116.42 26.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.217 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.635 HD22 HD13 ' B' ' 23' ' ' ILE . 10.9 mp -87.65 110.79 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.355 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -85.85 141.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.368 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.543 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -80.2 117.21 20.79 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.526 0.679 . . . . 0.0 110.162 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -34.67 1.9 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -87.42 177.15 7.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.1 p -104.56 178.68 4.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.768 0.318 . . . . 0.0 110.778 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.694 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 85.7 mt -71.12 -28.55 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.387 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -66.53 -27.22 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.69 -23.31 67.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.451 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -121.71 19.01 11.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.684 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 m120 62.08 30.71 17.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.756 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.694 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 70.9 mt -78.28 102.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.298 0.571 . . . . 0.0 110.578 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.44 -172.06 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.407 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.723 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 12.3 ptmm? -71.62 144.92 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 67.21 17.57 10.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.715 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -78.17 139.76 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 m -93.89 102.62 14.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.08 0.467 . . . . 0.0 111.334 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.542 HD13 HD12 ' B' ' 3' ' ' ILE . 85.4 mt -92.05 117.94 30.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.469 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -81.82 115.51 21.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.589 HD22 HG21 ' B' ' 7' ' ' THR . 58.6 tp -88.76 94.94 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.627 HG12 HD11 ' B' ' 8' ' ' LEU . 31.4 t -95.51 120.61 45.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.349 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.62 132.84 34.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' B' ' 74' ' ' ARG . 24.0 mmm180 -75.79 150.16 37.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.02 19.42 0.54 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' B' ' 72' ' ' ARG . 35.4 ttt180 67.63 -66.54 0.21 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.613 0.765 . . . . 0.0 111.333 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.85 154.05 20.01 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.58 -1.122 . . . . 0.0 111.479 -179.345 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.485 0.184 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.7 139.67 9.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -87.58 92.44 9.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.637 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -83.8 -31.69 25.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.745 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 m -70.63 121.05 17.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.813 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 2.9 mptp? -81.35 148.72 29.22 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.643 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 39.1 mttp -78.19 165.74 23.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.529 ' O ' HG22 ' A' ' 64' ' ' VAL . 22.1 mtm180 -126.93 159.59 33.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.731 -0.388 . . . . 0.0 109.96 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.79 165.85 35.9 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.37 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mt -120.83 124.27 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 3.2 p -72.23 126.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.388 0.613 . . . . 0.0 111.585 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -80.85 -60.35 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.476 -175.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.402 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 92.0 m-85 -84.23 -179.91 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -112.65 108.69 17.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.652 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 83.7 t80 -109.28 119.31 39.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 112.037 -171.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.433 ' HA ' HG22 ' A' ' 24' ' ' THR . 86.7 mmm -93.01 129.67 38.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.72 173.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.579 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -103.61 154.24 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.779 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.46 -42.12 2.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 110.279 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -87.77 159.36 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.213 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER -73.92 -19.62 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -178.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.1 -38.36 88.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.23 0.538 . . . . 0.0 109.957 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.579 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 27.4 mt-10 -83.22 161.35 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.816 -173.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD23 ' HG ' ' A' ' 47' ' ' LEU . 62.7 tp -123.73 122.33 37.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.845 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 16' ' ' MET . 25.3 m -71.94 110.5 6.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.247 177.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.534 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.3 pt -120.09 123.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.507 . . . . 0.0 111.268 -174.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HG3' ' HB2' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -84.33 144.6 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.376 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 t -55.76 128.48 35.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.491 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 12.08 68.25 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.62 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.467 ' HB2' ' HG3' ' A' ' 26' ' ' LYS . 3.9 t70 -84.92 -178.51 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.525 0.663 . . . . 0.0 110.721 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -113.68 118.39 34.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.735 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.619 HG22 HD12 ' A' ' 61' ' ' ILE . 24.5 m -127.15 141.29 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.401 0.62 . . . . 0.0 112.434 -176.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -82.72 143.96 30.55 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.261 170.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.643 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 59.4 mt -105.13 109.02 26.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.185 0.517 . . . . 0.0 109.857 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -82.59 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.741 -177.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' H ' ' HB2' ' A' ' 44' ' ' MET . 9.6 t0 -134.79 110.03 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.561 177.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -97.3 22.46 8.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 0.0 111.843 -175.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.2 21.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.821 0.819 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.976 ' HZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -65.63 -49.5 68.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.344 -173.385 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -127.73 17.1 6.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.111 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp 67.23 -64.96 0.24 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.776 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.31 -29.93 48.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.334 0.588 . . . . 0.0 110.409 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -121.75 135.72 54.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.382 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.467 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 46.0 m0 -115.05 167.17 11.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.883 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.496 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 63.2 mmm -98.3 118.92 36.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.0 m -135.55 157.43 46.9 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.893 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.498 HE21 ' HA2' ' A' ' 51' ' ' GLY . 48.0 tt0 -132.47 128.78 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.949 -176.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 HD22 HG13 ' A' ' 31' ' ' VAL . 96.3 mt -65.46 118.65 9.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.04 -39.51 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 123.387 0.429 . . . . 0.0 111.892 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -69.81 -54.99 11.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 t -90.21 -27.81 19.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.767 -171.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.498 ' HA2' HE21 ' A' ' 46' ' ' GLN . . . 94.83 0.58 64.0 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.221 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.05 120.72 14.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.424 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 4.5 p -119.93 148.93 42.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.861 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.38 -170.78 40.94 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.343 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.1 mm? -85.9 131.95 34.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.487 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.0 m -131.03 153.29 81.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.121 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.522 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 17.2 Cg_exo -67.16 140.27 53.24 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.487 2.125 . . . . 0.0 111.991 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -45.68 81.09 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.527 ' OE1' ' HG ' ' B' ' 8' ' ' LEU . 1.6 mp0 -74.15 14.02 0.48 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.652 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 5.6 m-85 -105.72 -25.77 12.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.619 HD12 HG22 ' A' ' 31' ' ' VAL . 36.8 mm -103.0 107.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.96 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.37 134.85 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.412 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 1.032 ' HG3' ' HD2' ' A' ' 68' ' ' LYS . 3.8 Cg_exo -77.36 127.74 9.23 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.58 2.187 . . . . 0.0 110.9 171.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 8' ' ' ARG . 6.8 m -85.27 -16.82 10.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -141.4 -89.93 0.15 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.861 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -146.38 -158.84 0.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.67 -174.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.896 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 77.97 -51.49 0.51 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.994 0.917 . . . . 0.0 111.667 176.531 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 1.032 ' HD2' ' HG3' ' A' ' 63' ' ' PRO . 39.7 ttmt -69.22 -43.53 73.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.088 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 93.6 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.202 0.525 . . . . 0.0 111.333 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.4 m -130.2 92.87 3.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.34 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.752 -176.531 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.456 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.8 ptt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.059 0.457 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.69 127.97 33.91 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.543 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -118.94 135.54 59.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.09 110.43 21.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.39 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.439 ' HB ' HG13 ' B' ' 13' ' ' ILE . 44.5 t -82.42 98.34 4.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.282 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 74.2 tttt -100.68 101.3 12.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.21 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.543 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 71.1 p -78.27 173.61 12.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.959 -170.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.527 ' HG ' ' OE1' ' A' ' 59' ' ' GLN . 2.0 tt -76.31 -14.76 60.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.943 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -89.86 -5.15 57.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.745 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.85 10.95 51.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.217 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 42.7 mmtm -84.01 142.71 30.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -133.79 93.37 3.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.861 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.439 HG13 ' HB ' ' B' ' 5' ' ' VAL . 9.7 pt -108.81 150.91 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.173 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.9 m -95.67 126.09 40.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' B' ' 29' ' ' LYS . 17.7 tp -118.54 126.06 51.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.812 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -86.14 106.74 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.403 HG12 ' CD ' ' B' ' 29' ' ' LYS . 33.5 m -125.6 144.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.497 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.477 ' O ' HD12 ' B' ' 56' ' ' LEU . 31.0 tt0 -87.24 153.18 21.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.89 -17.56 64.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.007 0.432 . . . . 0.0 110.72 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.54 -4.57 50.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.9 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.39 142.98 57.41 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.002 0.429 . . . . 0.0 110.797 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 59.8 p -88.38 158.27 18.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.992 175.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.7 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.7 mm -62.02 -32.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.0 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 4.6 p-10 -69.95 -30.77 68.23 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.633 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 41.1 t-20 -71.53 -43.21 66.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.505 HG22 HD22 ' B' ' 56' ' ' LEU . 47.5 t -60.77 -41.68 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.401 177.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 91.9 mttt -56.39 -44.71 80.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.139 0.495 . . . . 0.0 110.376 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.2 m -68.96 -29.08 67.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 53.8 mttm -65.6 -38.63 90.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.913 0.387 . . . . 0.0 110.097 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.46 -31.68 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.965 177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.418 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.41 0.624 . . . . 0.0 109.562 173.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.26 -34.52 74.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.035 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.72 -70.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.957 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -97.81 -10.65 24.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -171.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.83 39.39 24.7 Favored Glycine 0 C--O 1.23 -0.144 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.657 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.0 mt -101.92 129.5 26.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -57.34 131.05 42.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.98 2.453 . . . . 0.0 112.599 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.485 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 48.6 Cg_exo -56.75 -44.14 47.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.064 2.509 . . . . 0.0 112.949 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -72.98 -9.06 58.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.909 -176.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 19.1 tt0 -97.48 -9.35 27.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 110.279 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -100.95 127.56 47.38 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.941 -0.474 . . . . 0.0 111.863 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -117.66 112.72 20.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.559 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 96.5 mt -88.9 125.56 35.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 3.2 mp -112.07 124.33 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.445 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -122.68 112.98 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.011 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.62 16.65 6.75 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.072 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 -12.18 46.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.304 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -94.57 138.36 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -86.17 136.54 33.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.237 -177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.627 HD23 HD11 ' B' ' 23' ' ' ILE . 9.3 mp -95.17 102.63 14.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.25 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -80.5 136.49 36.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.7 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.8 p-10 -72.18 135.77 46.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.374 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.79 -44.25 1.2 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -90.32 175.43 7.11 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 72.7 p -96.11 171.51 8.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 111.184 -176.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.505 HD22 HG22 ' B' ' 26' ' ' VAL . 95.7 mt -64.8 -28.84 69.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.187 174.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -66.18 -39.64 89.88 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.573 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -59.58 -39.19 83.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -88.73 4.04 48.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.05 43.09 11.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.828 0.705 . . . . 0.0 111.229 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.515 HD12 HD22 ' B' ' 50' ' ' LEU . 67.9 mt -81.62 132.62 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.593 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -98.91 174.15 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.456 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 63.6 mmtt -69.98 147.29 50.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.547 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 64.17 27.42 14.0 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 110.633 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.5 p -78.47 163.48 25.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.471 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.0 m -123.85 118.14 26.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.748 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.42 143.78 35.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.1 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.482 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 91.7 m-70 -100.65 130.32 46.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.831 0.348 . . . . 0.0 110.249 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.543 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 61.1 tp -98.31 108.19 20.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.412 HG21 HD13 ' B' ' 8' ' ' LEU . 67.4 t -108.64 129.48 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.93 149.62 25.51 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.7 0.762 . . . . 0.0 112.319 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.605 ' HG2' ' H ' ' B' ' 74' ' ' ARG . 57.8 ttt180 -84.09 144.87 28.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.45 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.72 5.72 4.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.881 0.372 . . . . 0.0 111.731 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.605 ' H ' ' HG2' ' B' ' 72' ' ' ARG . 48.6 mtp180 -144.48 157.02 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.868 174.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.58 -5.92 4.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.746 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.054 -1.415 . . . . 0.0 111.026 -178.379 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.511 0.196 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' HA ' ' OG ' ' A' ' 5' ' ' SER . . . 65.06 22.68 12.4 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.016 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -111.77 105.76 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 71.02 9.76 6.8 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.222 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 2' ' ' ALA . 80.7 p -95.91 159.67 14.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.81 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -120.8 166.15 14.15 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.737 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 2.6 mmtp -81.6 159.89 23.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -129.05 123.86 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.265 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.56 167.11 29.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.008 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -118.7 129.82 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 13' ' ' TYR . 4.9 p -75.49 121.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.321 0.581 . . . . 0.0 110.05 175.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.27 -31.59 49.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' O ' HG21 ' A' ' 11' ' ' VAL . 4.4 m-85 -111.8 -177.46 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.797 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.515 ' O ' ' HA2' ' B' ' 47' ' ' GLY . 8.1 m-20 -96.47 160.9 14.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 171.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.454 ' HB3' HG12 ' A' ' 25' ' ' ILE . 65.7 t80 -149.24 102.56 3.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.153 0.501 . . . . 0.0 110.668 174.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mtt -83.4 110.98 18.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.765 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -89.17 150.69 22.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.953 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -130.69 -21.19 2.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.169 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.724 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 22.9 m -89.81 152.29 21.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -73.14 -23.02 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -80.68 -14.4 58.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.801 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.724 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 59.2 mt-10 -86.61 177.2 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.65 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 46.7 tp -136.17 114.59 11.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -70.8 103.3 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.672 HG22 HD23 ' A' ' 47' ' ' LEU . 22.3 pt -117.88 156.58 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -119.48 154.7 33.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.31 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 p -59.71 116.64 4.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.043 0.449 . . . . 0.0 110.871 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.06 -0.35 29.98 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.94 133.1 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -86.4 125.82 33.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.583 HG11 HD21 ' A' ' 47' ' ' LEU . 18.5 m -133.32 151.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.37 0.605 . . . . 0.0 112.184 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CE2' HG21 ' A' ' 48' ' ' VAL . 48.5 m-85 -101.13 135.72 42.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.089 171.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.737 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 mt -94.63 115.28 33.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.591 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 58.3 mt -74.83 -48.18 26.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.558 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -142.44 122.58 13.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.986 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 33' ' ' ILE . 6.6 p-10 -126.55 12.53 7.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.818 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -109.66 -55.08 2.48 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.775 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -74.17 -48.47 29.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -95.13 102.48 14.29 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.879 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -98.71 -25.46 14.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.645 ' HB2' HD11 ' B' ' 73' ' ' LEU . 4.9 m-20 -84.9 -41.27 16.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.965 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -124.65 122.35 37.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.206 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -95.49 142.48 27.79 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.879 0.371 . . . . 0.0 110.624 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.462 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -86.07 102.78 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.5 m -109.37 144.36 37.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 63.9 tt0 -120.39 126.55 50.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.803 178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.672 HD23 HG22 ' A' ' 25' ' ' ILE . 95.0 mt -68.34 136.33 53.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.118 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.516 HG21 ' CE2' ' A' ' 32' ' ' TYR . 72.9 t -76.14 -23.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.456 0.646 . . . . 0.0 109.455 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.85 -71.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.632 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 p -97.83 -26.35 14.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.876 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.33 6.04 58.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.165 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -78.63 143.76 36.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.697 0.284 . . . . 0.0 110.337 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 21.6 p -120.01 156.02 31.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.912 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.65 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -172.35 176.86 45.23 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.721 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.55 131.84 36.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.681 0.277 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 25' ' ' ILE . 33.9 m -136.91 156.24 75.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.333 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 56' ' ' VAL . 11.5 Cg_endo -56.42 133.21 56.6 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.957 2.438 . . . . 0.0 112.797 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.96 61.56 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -173.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 7.1 pt20 -72.74 12.01 0.57 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -171.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.416 ' HB3' HG23 ' A' ' 11' ' ' VAL . 3.0 m-85 -96.15 -14.8 22.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.572 0.225 . . . . 0.0 110.698 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.99 126.01 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.122 0.487 . . . . 0.0 111.843 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -112.57 108.98 53.76 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.521 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.1 136.66 70.48 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.922 2.415 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.4 m -87.77 -29.09 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.123 0.487 . . . . 0.0 111.286 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.77 HH21 ' HB2' ' A' ' 67' ' ' LYS . 7.1 tpm_? -169.48 76.46 0.1 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.282 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.33 -58.84 2.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.259 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.77 ' HB2' HH21 ' A' ' 65' ' ' ARG . 52.5 tttm 52.15 76.83 0.17 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.93 -172.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -73.9 149.38 41.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.197 -174.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -90.76 -58.7 2.39 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 p -148.42 159.52 43.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.42 173.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.371 179.535 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.58 ' SD ' ' HD2' ' B' ' 63' ' ' LYS . 16.3 ptt? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.763 0.792 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -105.13 130.26 53.35 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.008 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 pt -127.13 151.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.547 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -101.56 105.52 16.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.314 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -87.88 98.14 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.16 0.505 . . . . 0.0 110.148 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 24.6 ttmm -87.98 112.57 22.72 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.86 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.561 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 49.7 p -71.21 172.83 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.021 0.438 . . . . 0.0 111.549 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.494 HD13 HG13 ' B' ' 70' ' ' VAL . 9.3 tt -63.2 -36.14 82.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.943 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -78.23 -30.47 48.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.505 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.41 -37.25 1.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.692 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -48.1 115.24 1.12 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.022 0.439 . . . . 0.0 111.423 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 14.4 m -103.6 113.16 26.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.406 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.05 130.87 49.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.695 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -85.85 113.77 22.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.64 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -105.93 136.25 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 111.613 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.92 101.4 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.306 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.413 HG11 HG21 ' B' ' 26' ' ' VAL . 27.2 m -139.03 143.94 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.984 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -82.18 167.6 18.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 111.228 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -64.63 -30.23 71.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.278 0.561 . . . . 0.0 110.605 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -90.34 9.88 27.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.199 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.01 141.22 36.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.456 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.6 p -86.98 151.8 22.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.974 -176.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.1 mm -56.48 -35.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.742 ' HA ' ' HG2' ' B' ' 27' ' ' LYS . 20.5 t70 -69.73 -35.98 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 3.8 t-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.709 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.472 HG22 HD11 ' B' ' 56' ' ' LEU . 58.6 t -63.11 -51.97 64.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.159 173.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.742 ' HG2' ' HA ' ' B' ' 24' ' ' ASP . 19.7 ptpt -63.33 -29.13 70.49 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.528 ' HA ' ' CD ' ' B' ' 31' ' ' GLN . 28.9 t -66.9 -38.37 86.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.462 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.6 mttp -64.02 -32.89 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' B' ' 27' ' ' LYS . 59.0 mt -69.02 -39.47 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.403 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.656 ' CD ' ' HG3' ' B' ' 38' ' ' PRO . 28.4 mt-30 -65.65 -27.73 68.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.181 0.515 . . . . 0.0 110.09 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.57 -33.57 76.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.011 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.64 -64.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.294 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -172.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 49.51 4.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.551 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 58.4 mt -106.8 131.49 21.66 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -37.37 121.44 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.751 2.967 . . . . 0.0 113.202 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.656 ' HG3' ' CD ' ' B' ' 31' ' ' GLN . 52.9 Cg_exo -56.01 -46.4 31.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.999 2.466 . . . . 0.0 113.298 -176.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.7 -25.51 67.46 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -82.68 -28.99 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.973 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.551 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 27.2 mt-30 -79.59 109.62 14.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 111.399 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.706 ' HG3' ' HD3' ' B' ' 72' ' ' ARG . 3.4 mmp_? -112.98 122.11 46.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' B' ' 50' ' ' LEU . 96.6 mt -91.88 127.93 37.53 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.29 125.46 61.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.438 ' HB3' HD21 ' B' ' 50' ' ' LEU . 73.0 t80 -121.35 109.68 15.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.327 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.42 19.79 9.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.038 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.515 ' HA2' ' O ' ' A' ' 14' ' ' ASP . . . 110.58 -17.34 28.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.636 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -87.54 123.06 32.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.62 115.69 20.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.326 0.584 . . . . 0.0 109.561 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.54 HD23 ' CG ' ' B' ' 59' ' ' TYR . 13.8 mt -81.72 129.0 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.556 -174.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.525 ' HA ' ' NH2' ' B' ' 42' ' ' ARG . 30.6 mt-10 -100.16 -179.75 4.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.203 0.525 . . . . 0.0 110.978 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.431 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 2.5 m-20 -84.59 151.39 24.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.895 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.04 -45.07 1.37 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.619 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -82.89 169.06 16.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 0.0 111.22 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.2 p -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.472 HD11 HG22 ' B' ' 26' ' ' VAL . 10.5 mp -65.73 -32.5 74.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.543 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.7 m -65.95 -38.35 88.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.576 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.28 -35.98 82.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.781 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.54 ' CG ' HD23 ' B' ' 50' ' ' LEU . 63.3 m-85 -94.8 -0.84 53.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m120 61.44 41.01 13.29 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.9 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -71.56 117.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.901 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.76 172.07 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.046 -172.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.58 ' HD2' ' SD ' ' B' ' 1' ' ' MET . 12.7 mmmm -59.86 134.51 57.1 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.679 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 60.95 26.53 16.45 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.654 0.597 . . . . 0.0 111.409 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -71.73 158.21 36.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.146 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.5 m -112.76 104.69 12.72 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.168 0.509 . . . . 0.0 110.414 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.18 145.08 27.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.395 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -107.01 114.81 29.11 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.561 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 65.8 tp -92.31 113.88 26.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.12 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.494 HG13 HD13 ' B' ' 8' ' ' LEU . 47.9 t -116.21 129.87 71.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.68 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.05 145.19 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.706 ' HD3' ' HG3' ' B' ' 42' ' ' ARG . 26.4 mmm180 -80.06 -9.1 59.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.312 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 41' ' ' ASP . 84.1 mt 66.6 3.66 3.01 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.161 0.584 . . . . 0.0 112.504 178.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 54.24 63.92 2.0 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.055 0.455 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.9 153.92 12.8 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.914 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.142 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.111 177.772 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.436 0.16 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.75 177.4 0.17 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.432 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p 47.79 35.22 4.47 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.016 0.526 . . . . 0.0 112.094 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -73.37 -63.85 1.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.331 0.586 . . . . 0.0 110.03 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -144.03 162.59 35.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.419 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.95 116.6 29.18 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 172.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.676 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 97.5 mttt -74.4 157.77 35.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -125.58 144.99 50.32 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.25 175.55 33.91 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.346 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -126.55 130.23 71.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.452 HG21 ' HB ' ' A' ' 25' ' ' ILE . 2.4 p -79.85 124.87 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.01 0.434 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -98.98 -25.95 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.166 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' HB2' ' CG ' ' A' ' 60' ' ' PHE . 97.6 m-85 -115.77 144.87 43.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 0.0 110.51 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -79.0 142.66 36.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.512 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 88.4 t80 -148.11 135.0 20.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.747 0.308 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.618 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.8 ptp -107.81 127.97 54.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.918 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -89.99 144.0 26.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.279 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -102.03 -20.32 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -115.63 165.69 12.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.65 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -75.18 -24.67 57.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -81.94 -12.05 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 110.537 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 53.8 mt-10 -96.67 151.99 19.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.405 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.641 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 55.8 tp -117.52 128.02 54.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 111.473 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.618 HG23 ' HA ' ' A' ' 16' ' ' MET . 86.4 m -77.57 115.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.944 173.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.512 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 10.8 pt -110.2 157.3 10.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.309 0.576 . . . . 0.0 111.62 -175.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -130.87 131.07 44.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.385 -175.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -57.16 124.85 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.853 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.78 -9.07 43.72 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.97 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.42 155.08 24.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -92.49 130.18 38.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.347 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.616 HG11 HD23 ' A' ' 47' ' ' LEU . 35.3 m -127.48 150.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.308 0.575 . . . . 0.0 112.003 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -95.63 140.29 30.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.234 168.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.676 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 46.4 mt -105.46 113.33 42.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 34' ' ' LEU . 2.4 mm? -94.07 -77.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.577 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 4.5 m-20 -102.04 95.0 6.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.279 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 9.2 p-10 -105.81 -36.32 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.809 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.14 2.81 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.104 0.478 . . . . 0.0 110.825 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 28.5 mmtp -78.03 -48.64 15.68 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.6 m -125.44 171.3 10.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -111.69 15.35 21.04 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.821 ' HA ' HD22 ' B' ' 8' ' ' LEU . 1.1 p-10 -140.7 -71.46 0.37 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.549 -165.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -108.66 124.63 50.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -105.07 150.4 25.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.201 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.577 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 34.0 mtp -87.34 119.7 27.88 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.9 p -132.43 162.35 31.37 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.777 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -133.03 127.04 33.23 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.853 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.616 HD23 HG11 ' A' ' 31' ' ' VAL . 73.5 mt -63.05 118.36 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.88 -43.03 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.72 -11.81 58.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -171.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 p -119.82 -38.22 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.875 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 6.35 56.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.083 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -84.55 124.73 31.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.799 0.333 . . . . 0.0 110.644 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 5.6 p -114.89 157.57 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.566 -175.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.641 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 174.06 -178.85 45.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.079 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.6 mt -89.07 134.87 33.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.696 0.284 . . . . 0.0 110.999 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.61 158.21 73.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.405 ' HB3' HG23 ' B' ' 70' ' ' VAL . 25.6 Cg_exo -63.76 127.21 19.08 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.746 2.297 . . . . 0.0 112.15 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.78 -33.25 64.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.427 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.47 0.38 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.085 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.694 ' HZ ' HG23 ' B' ' 44' ' ' ILE . 7.3 m-30 -107.61 -7.72 16.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.631 0.253 . . . . 0.0 111.421 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.525 HD11 HG21 ' A' ' 31' ' ' VAL . 50.9 mm -110.23 126.85 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 0.0 111.574 -174.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.494 ' OE1' ' HE3' ' A' ' 68' ' ' LYS . 18.3 mm-40 -104.66 105.89 52.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.762 172.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -71.67 130.13 16.59 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 111.921 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m -82.16 120.75 34.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.655 0.74 . . . . 0.0 110.916 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -99.88 -86.47 0.38 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.61 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -132.54 75.06 1.61 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 169.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 66.59 100.86 0.05 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.235 -170.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' HE3' ' OE1' ' A' ' 62' ' ' GLU . 63.7 tttp -123.84 122.47 38.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.455 176.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -126.99 86.34 2.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.296 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.3 p 46.6 -98.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.475 1.11 . . . . 0.0 113.908 173.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.647 -173.067 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.289 0.566 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.54 147.33 47.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.42 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.5 pt -132.36 136.77 55.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 53.9 m-85 -90.45 95.68 10.29 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.5 t -80.31 100.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.765 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.5 ttmt -97.3 106.03 18.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.802 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.613 HG22 HD21 ' B' ' 69' ' ' LEU . 43.7 p -79.26 160.66 26.75 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.234 -176.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 41' ' ' ASP . 1.1 pp -67.72 -10.42 52.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.833 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.19 -13.42 59.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.335 177.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.0 14.85 38.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.065 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.99 115.61 30.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.686 0.279 . . . . 0.0 110.838 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 15.0 m -102.27 93.47 5.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -100.73 124.23 54.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.58 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -80.1 112.21 17.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.032 0.444 . . . . 0.0 110.141 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -98.2 133.61 42.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.33 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.4 107.46 15.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.75 176.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.85 -175.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.451 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 9.2 tp10 -123.49 156.38 35.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -61.44 -42.79 99.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.304 0.573 . . . . 0.0 109.711 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -88.16 20.8 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.786 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 17.9 t0 -91.05 134.83 34.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.463 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.5 p -74.2 148.66 41.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.593 HG23 ' HE3' ' B' ' 27' ' ' LYS . 31.0 mm -55.18 -42.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.276 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -42.9 84.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.514 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -68.08 -38.58 82.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 22' ' ' THR . 49.1 t -60.53 -44.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.07 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.65 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 95.1 mttt -59.37 -36.78 76.38 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -29.91 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.878 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.43 -24.73 60.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.98 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 26' ' ' VAL . 24.1 mm -71.93 -44.02 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.56 -33.96 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.248 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.89 -32.73 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.631 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -110.48 -63.53 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.854 -173.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -75.36 -22.78 57.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.261 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 45.1 26.95 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.128 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.767 HD13 HD23 ' B' ' 71' ' ' LEU . 66.4 mt -111.38 134.36 21.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.422 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 55.6 Cg_exo -52.93 121.28 9.03 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.664 2.243 . . . . 0.0 111.632 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.65 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 49.9 Cg_exo -56.4 -43.55 54.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.126 2.551 . . . . 0.0 113.248 -175.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.58 -2.15 31.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 0.0 111.475 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -95.26 -9.73 32.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.346 0.594 . . . . 0.0 109.748 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.517 ' HB3' HD11 ' B' ' 69' ' ' LEU . 47.2 mt-30 -99.19 144.04 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.236 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.401 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 98.8 mtt180 -131.89 124.56 29.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.251 173.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.34 126.58 41.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.025 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.694 HG23 ' HZ ' ' A' ' 60' ' ' PHE . 54.5 mt -117.27 126.2 74.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.954 0.407 . . . . 0.0 110.632 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -129.53 109.65 11.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.293 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.72 22.74 13.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.723 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.5 -15.74 49.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.033 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -82.54 111.86 18.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.679 0.276 . . . . 0.0 110.369 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 22.8 tt0 -80.92 113.38 19.09 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.555 HD13 HD11 ' B' ' 23' ' ' ILE . 49.1 mt -69.3 123.6 21.62 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.95 -85.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.501 -173.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -179.07 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.57 0.224 . . . . 0.0 110.71 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.41 39.39 3.1 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.342 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.468 ' O ' HG12 ' B' ' 23' ' ' ILE . 3.5 mmp_? -133.45 168.82 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -103.71 172.19 6.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.1 -22.9 62.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.05 0.452 . . . . 0.0 110.488 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.0 m -67.24 -31.53 71.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.96 176.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.64 -43.54 84.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.606 -176.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -85.31 -2.41 58.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.208 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 59.92 59.17 2.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.407 HD11 HD21 ' B' ' 50' ' ' LEU . 67.9 mt -92.93 127.78 44.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -68.09 145.82 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.419 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 22.4 pttp -76.15 160.25 29.92 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.373 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.419 ' HG2' ' HG3' ' B' ' 63' ' ' LYS . 4.4 mm-40 58.54 36.99 25.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.38 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -103.19 157.41 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.297 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.457 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 27.1 m -101.88 112.56 25.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.793 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.25 148.88 24.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -95.58 123.41 39.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.613 HD21 HG22 ' B' ' 7' ' ' THR . 42.4 tp -95.36 119.84 34.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.573 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 57' ' ' PRO . 78.6 t -118.34 116.47 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.039 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.767 HD23 HD13 ' B' ' 36' ' ' ILE . 10.7 mp -81.66 143.8 31.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.335 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.684 ' HD3' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -86.74 -25.53 24.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.358 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 mt 55.6 86.68 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.871 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -88.62 -50.15 6.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.958 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.68 49.55 0.32 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.566 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.822 -178.722 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtp . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.861 0.363 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.24 -15.33 50.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 173.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t 78.12 168.17 0.22 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.07 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -173.47 -75.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.307 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 5.4 m -67.0 -33.73 76.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.196 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 5' ' ' SER . 32.3 mtmm 71.27 148.56 0.08 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.339 -175.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 95.4 mttt -63.66 145.39 55.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.627 -176.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -117.91 147.57 43.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -146.65 157.8 27.52 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.699 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.554 HG13 HG23 ' A' ' 64' ' ' VAL . 87.0 mt -112.09 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.07 127.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.035 0.445 . . . . 0.0 110.648 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -85.51 -54.83 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.286 -176.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.409 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 95.2 m-85 -93.09 142.78 26.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.03 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.671 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 13.7 t70 -77.4 118.31 19.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.544 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 82.5 t80 -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 111.541 -173.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.423 ' HA ' HG21 ' A' ' 24' ' ' THR . 81.9 mtp -97.74 135.98 38.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.869 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -94.75 155.27 16.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.128 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -114.23 -42.84 3.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.655 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -104.13 167.82 9.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -72.45 -19.01 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.197 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.61 -30.56 67.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.543 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 30.4 mt-10 -88.8 178.4 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.63 -175.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD23 ' HG ' ' A' ' 47' ' ' LEU . 68.8 tp -137.83 130.66 29.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.815 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.423 HG21 ' HA ' ' A' ' 16' ' ' MET . 19.5 m -77.8 107.59 10.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.923 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.544 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 12.8 pt -111.24 122.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 110.869 -176.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -77.91 143.9 37.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.174 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.639 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 48.4 t -61.15 115.66 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.939 0.4 . . . . 0.0 110.592 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.19 6.47 61.53 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.742 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.65 -179.45 6.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.924 0.362 . . . . 0.0 110.65 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -113.65 120.93 42.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.659 HG21 HD13 ' A' ' 61' ' ' ILE . 29.7 m -125.58 144.5 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.245 0.545 . . . . 0.0 111.921 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.466 ' CE2' HG22 ' A' ' 48' ' ' VAL . 53.4 m-85 -92.96 130.58 38.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.362 170.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.574 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 55.5 mt -89.49 98.82 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -72.57 -64.34 0.98 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.174 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -119.39 123.27 43.72 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.864 0.364 . . . . 0.0 110.516 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.41 15.55 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.057 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -109.56 -42.78 4.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -170.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.95 -28.64 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 111.109 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -135.23 164.88 26.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.385 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.94 4.6 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.538 0.685 . . . . 0.0 109.775 173.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.23 -52.62 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.562 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -117.19 112.39 20.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.198 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 37.4 m0 -100.77 165.16 11.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.553 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.1 mtp -99.17 106.33 18.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.473 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 99.5 m -117.63 157.96 25.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.784 0.326 . . . . 0.0 110.775 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 35.2 tt0 -133.04 128.35 36.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.688 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.552 HD21 HG13 ' A' ' 31' ' ' VAL . 92.3 mt -67.17 125.91 27.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.921 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 HG22 ' CE2' ' A' ' 32' ' ' TYR . 61.8 t -64.39 -54.25 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 -175.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -72.74 -33.35 66.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.7 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.9 t -83.58 -48.84 9.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.044 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.7 53.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.248 -177.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.49 130.65 42.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.549 0.214 . . . . 0.0 110.609 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 6.0 p -115.73 144.12 44.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.903 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.64 43.23 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 95.9 mt -84.94 133.97 34.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.88 155.75 72.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.64 126.76 22.85 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.953 2.435 . . . . 0.0 112.32 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.388 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.493 HE22 HG22 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -78.46 -10.17 59.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.369 -177.058 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 13' ' ' TYR . 2.8 m-30 -90.16 -12.81 37.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.659 HD13 HG21 ' A' ' 31' ' ' VAL . 45.8 mm -108.09 122.04 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -111.26 107.2 57.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.429 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 46.3 Cg_exo -55.96 141.21 86.44 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.01 2.473 . . . . 0.0 112.85 -176.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.554 HG23 HG13 ' A' ' 10' ' ' ILE . 9.1 t -77.78 87.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 64' ' ' VAL . 12.3 tpt180 160.25 -26.73 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 -167.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 79.19 -0.38 2.32 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.32 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -166.5 126.6 1.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.78 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' HE2' ' CZ2' ' A' ' 43' ' ' TRP . 20.2 pttp -97.75 101.86 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.935 0.874 . . . . 0.0 110.713 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -104.54 -22.63 13.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.078 177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.599 HG21 ' HG3' ' A' ' 71' ' ' GLU . 9.9 t -169.62 -21.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.117 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.599 ' HG3' HG21 ' A' ' 70' ' ' THR . 43.3 mt-10 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.785 -0.626 . . . . 0.0 109.45 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.508 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.3 ptt? . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.267 0.556 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -129.43 141.56 51.01 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.721 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -129.9 164.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -111.72 107.08 16.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.58 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -92.04 93.86 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.258 0.551 . . . . 0.0 109.832 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 24.5 ttmm -91.53 108.55 19.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.989 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.567 HG21 HD21 ' B' ' 69' ' ' LEU . 46.9 p -73.04 167.83 20.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.298 0.571 . . . . 0.0 111.765 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.97 -29.69 70.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.589 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -79.92 3.11 20.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.082 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.73 20.91 58.9 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.986 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -103.12 112.85 25.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -90.38 101.28 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.574 . . . . 0.0 110.659 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.58 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 63.1 mt -89.13 120.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.1 m -87.89 111.87 21.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.64 HD13 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -119.55 128.46 53.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.307 -173.623 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.61 112.75 24.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.353 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.64 HG13 HD13 ' B' ' 15' ' ' LEU . 12.9 m -140.45 151.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.911 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.604 ' O ' HD13 ' B' ' 56' ' ' LEU . 40.6 mt-10 -66.22 150.45 48.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -177.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.43 ' HA ' ' HE2' ' B' ' 1' ' ' MET . 44.2 m -67.78 -17.08 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.141 0.496 . . . . 0.0 110.509 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -110.13 17.61 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.229 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -75.03 169.06 18.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.299 -177.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.536 ' O ' HG23 ' B' ' 26' ' ' VAL . 60.5 p -100.35 149.32 23.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.511 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.88 -32.43 49.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.302 0.572 . . . . 0.0 110.107 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.671 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 25.4 t70 -62.32 -46.69 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.857 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -63.48 -41.18 98.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.445 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.536 HG21 HG12 ' B' ' 17' ' ' VAL . 15.9 t -60.95 -46.68 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.76 -42.66 89.4 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.11 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -65.67 -34.63 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.431 -177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.98 -43.52 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.714 0.292 . . . . 0.0 110.781 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.438 HD11 HG21 ' B' ' 5' ' ' VAL . 71.2 mt -66.1 -34.7 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 0.0 109.863 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.02 -47.13 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.966 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.47 -29.13 65.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.092 0.472 . . . . 0.0 111.179 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -80.7 -60.51 2.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.653 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.27 -7.69 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.837 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 32.57 66.2 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.971 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.479 HG23 ' HG3' ' B' ' 41' ' ' GLN . 61.2 mt -103.27 120.36 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.66 0.266 . . . . 0.0 110.34 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 39.2 Cg_exo -60.74 137.75 75.01 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.86 2.373 . . . . 0.0 112.5 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 39.2 Cg_exo -61.34 -23.6 77.18 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.018 2.479 . . . . 0.0 112.007 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.73 -29.39 69.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.211 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 26.1 tt0 -96.34 -34.08 11.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.797 -175.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.479 ' HG3' HG23 ' B' ' 36' ' ' ILE . 34.9 mt-30 -62.06 117.0 5.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.181 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -118.0 98.67 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.606 HD21 HD13 ' B' ' 69' ' ' LEU . 94.0 mt -77.88 112.83 15.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.35 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mt -99.58 106.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.211 0.529 . . . . 0.0 111.129 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -108.87 118.44 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.453 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.93 29.43 18.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.941 0.401 . . . . 0.0 110.959 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.671 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 82.13 14.74 76.28 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.648 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -119.19 125.34 48.97 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -79.59 119.37 22.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.139 0.495 . . . . 0.0 111.043 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.453 HD23 ' CD2' ' B' ' 59' ' ' TYR . 23.5 mt -93.51 137.86 32.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.154 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -127.04 170.43 12.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.671 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -67.77 167.24 13.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.252 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.71 -43.48 2.75 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -79.57 156.9 27.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 110.454 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 32.3 p -102.71 164.85 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.604 HD13 ' O ' ' B' ' 18' ' ' GLU . 70.7 mt -63.95 -27.37 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.586 177.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 28.5 t -74.65 -26.09 59.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.117 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.93 -30.64 65.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -175.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.453 ' CD2' HD23 ' B' ' 50' ' ' LEU . 71.7 m-85 -95.15 7.98 44.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 59.87 39.54 20.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.49 129.01 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.945 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -101.31 -174.77 2.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.194 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.508 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 34.2 mmtp -67.02 147.87 52.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.299 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 42.95 43.52 3.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.237 1.015 . . . . 0.0 113.439 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -86.12 146.47 26.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.984 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -98.7 103.7 15.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.234 0.54 . . . . 0.0 111.095 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.4 HD11 ' N ' ' B' ' 67' ' ' LEU . 6.6 mp -88.52 150.23 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.735 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.534 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 62.5 m-70 -103.82 117.7 34.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.606 HD13 HD21 ' B' ' 43' ' ' LEU . 57.5 tp -88.28 100.84 13.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.231 0.538 . . . . 0.0 110.445 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.493 HG22 HE22 ' A' ' 59' ' ' GLN . 59.9 t -95.18 136.63 25.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.454 HD12 HE21 ' B' ' 40' ' ' GLN . 3.3 mm? -96.57 130.36 43.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.263 0.554 . . . . 0.0 111.187 -173.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.474 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 62.7 ttt180 -68.12 123.61 21.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.671 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.95 26.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' B' ' 72' ' ' ARG . 77.2 mtm180 64.0 103.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.572 0.749 . . . . 0.0 112.01 175.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.64 -148.17 5.87 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.646 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.917 0 CA-C-O 118.345 -1.253 . . . . 0.0 111.527 179.064 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.7 mtp . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.32 0.105 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.21 100.82 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.107 0.563 . . . . 0.0 111.571 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 p -128.38 149.31 50.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.211 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -85.51 89.83 7.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -65.13 -43.01 93.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 49.38 63.4 2.17 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.481 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.809 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.26 142.03 45.31 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.877 176.511 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -111.13 145.71 38.13 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.2 147.04 18.96 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.462 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.474 HG13 HG22 ' A' ' 64' ' ' VAL . 75.7 mt -111.69 107.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.549 HG22 HD12 ' A' ' 25' ' ' ILE . 3.2 p -71.3 128.89 34.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.132 0.492 . . . . 0.0 110.78 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -95.84 -17.22 21.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.793 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 60' ' ' PHE . 94.9 m-85 -110.73 175.75 5.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.367 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -113.39 115.74 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 86.7 t80 -124.2 104.61 8.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.061 0.458 . . . . 0.0 110.668 -177.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.632 ' HA ' HG22 ' A' ' 24' ' ' THR . 3.8 mpp? -88.11 116.08 26.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.736 175.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -65.44 135.45 55.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.817 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -94.89 -42.89 8.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -97.79 168.58 10.23 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.136 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -77.81 -20.09 53.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.25 -12.94 57.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.091 0.472 . . . . 0.0 110.862 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.6 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 41.8 mt-10 -91.35 161.78 14.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.505 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 37.8 tp -118.59 126.66 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 0.0 110.779 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.632 HG22 ' HA ' ' A' ' 16' ' ' MET . 30.7 m -75.2 111.62 10.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.549 HD12 HG22 ' A' ' 11' ' ' VAL . 12.5 pt -122.96 132.69 70.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.494 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 1.7 mppt? -109.85 147.58 33.07 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 p -52.71 118.47 3.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 0.0 111.619 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.65 30.83 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.732 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -67.43 131.88 46.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.015 0.436 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' O ' HG11 ' A' ' 48' ' ' VAL . 3.4 tppt? -82.77 124.34 30.17 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 171.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.524 ' HB ' ' HB3' ' A' ' 45' ' ' CYS . 16.2 m -124.81 144.11 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.1 0.476 . . . . 0.0 111.346 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.6 112.16 23.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.05 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.618 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 41.5 mt -82.95 104.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.971 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.84 -50.28 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.609 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.542 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 12.1 t70 -117.21 116.95 28.27 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.495 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.7 p-10 -131.85 2.18 4.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.315 1.01 . . . . 0.0 110.672 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -114.18 -37.89 4.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -75.67 -31.18 59.65 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.195 -174.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -113.84 152.89 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -125.1 11.98 8.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.95 -52.82 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.947 -175.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -124.62 121.39 34.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.053 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -102.44 163.74 12.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.747 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.542 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 33.1 mtp -101.94 112.79 25.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.524 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 88.5 m -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.073 0.463 . . . . 0.0 111.058 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 59.1 tt0 -117.55 128.7 55.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.711 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD21 HG11 ' A' ' 31' ' ' VAL . 96.4 mt -67.75 116.27 8.25 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.52 HG11 ' O ' ' A' ' 30' ' ' LYS . 10.3 p -67.2 -30.38 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.866 0.841 . . . . 0.0 110.04 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.79 -42.15 41.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.806 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 m -95.46 -39.39 10.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.94 48.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.01 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -87.78 147.43 25.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.5 m -112.56 147.1 37.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.832 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.505 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -162.25 177.85 38.27 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.508 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.35 134.15 34.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.6 m -136.27 151.0 72.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.14 124.48 14.93 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.872 2.381 . . . . 0.0 112.062 176.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.88 -36.08 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.726 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.67 -28.56 68.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.531 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.43 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 5.0 m-30 -84.29 -20.46 32.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 111.358 -172.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.8 mm -92.57 127.6 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -176.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' OE2' ' HG3' ' A' ' 68' ' ' LYS . 12.1 tp10 -102.54 106.5 49.63 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.79 131.12 31.85 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.754 2.303 . . . . 0.0 112.491 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.474 HG22 HG13 ' A' ' 10' ' ' ILE . 14.8 t -79.88 65.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 122.051 0.929 . . . . 0.0 109.857 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -133.16 -65.08 0.71 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.616 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 38.5 t70 171.19 116.23 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 114.341 -1.3 . . . . 0.0 109.002 168.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 16.8 ptmt 59.25 177.41 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.921 -178.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HG3' ' OE2' ' A' ' 62' ' ' GLU . 27.2 mtpp -100.17 127.1 46.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.17 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -75.81 98.51 4.18 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -97.29 148.67 22.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.061 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.109 178.489 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.468 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 14.4 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.158 0.504 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.48 141.66 48.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.041 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.81 162.39 35.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.32 106.58 14.77 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.618 HG12 ' HB ' ' B' ' 13' ' ' ILE . 3.0 p -92.68 104.59 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.781 0.801 . . . . 0.0 110.086 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 52.1 tttm -99.98 112.87 25.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.412 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.553 HG21 HD21 ' B' ' 69' ' ' LEU . 68.8 p -69.82 169.12 13.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.136 0.493 . . . . 0.0 111.243 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.436 HD22 HG11 ' B' ' 70' ' ' VAL . 1.3 pp -72.48 -12.22 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.699 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -89.19 -19.52 25.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.332 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.32 9.45 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.655 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -94.51 103.2 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.928 0.394 . . . . 0.0 109.948 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 25.7 m -95.4 107.28 19.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.618 ' HB ' HG12 ' B' ' 5' ' ' VAL . 35.3 mt -97.8 130.0 47.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.3 m -82.26 111.03 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -114.46 121.57 43.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.668 -174.681 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -94.86 111.05 22.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.239 0.542 . . . . 0.0 110.365 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.606 HG11 HG21 ' B' ' 26' ' ' VAL . 2.8 m -141.81 140.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.696 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.411 ' O ' HD11 ' B' ' 56' ' ' LEU . 36.5 mm-40 -87.26 161.74 17.82 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -175.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -60.18 -22.46 62.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.125 0.488 . . . . 0.0 111.264 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.0 p -91.18 -5.56 54.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.758 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.05 152.42 27.89 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.27 0.557 . . . . 0.0 111.003 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.753 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.4 p -86.37 163.08 17.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.706 -178.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.422 HG13 ' HE2' ' B' ' 59' ' ' TYR . 47.4 mm -65.24 -29.62 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.04 -48.86 77.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.463 174.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.857 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.606 HG21 HG11 ' B' ' 17' ' ' VAL . 9.0 t -60.48 -46.85 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 89.6 mttt -59.24 -39.09 81.68 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.921 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.4 m -61.64 -41.88 98.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.734 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.506 ' HB2' HD11 ' B' ' 15' ' ' LEU . 98.6 mttt -71.67 -29.89 65.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.996 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 26' ' ' VAL . 71.9 mt -72.59 -37.7 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.054 0.454 . . . . 0.0 109.956 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.74 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.408 0.623 . . . . 0.0 109.53 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.82 -32.98 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.684 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -77.69 -69.45 0.54 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.661 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -92.35 -21.54 20.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.78 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.07 41.42 7.54 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.611 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.16 127.42 28.34 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 12.6 Cg_endo -56.89 127.14 24.63 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.619 2.212 . . . . 0.0 111.964 177.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.415 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 48.9 Cg_exo -57.89 -33.33 96.91 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.267 2.644 . . . . 0.0 112.321 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.36 -35.29 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.61 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.537 ' NE2' HD12 ' B' ' 71' ' ' LEU . 22.8 tt0 -87.52 -18.39 29.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.208 -173.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 65.3 mt-30 -78.88 116.91 19.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.747 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -118.65 108.49 14.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.403 HD11 ' N ' ' B' ' 43' ' ' LEU . 5.9 mp -89.52 108.26 19.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 -174.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.629 HG12 ' HG2' ' B' ' 49' ' ' GLN . 62.8 mt -99.41 117.62 44.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.098 0.475 . . . . 0.0 110.378 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 76.0 t80 -126.59 110.89 13.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.548 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 37.58 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.852 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.78 -8.83 79.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.834 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -98.13 125.26 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.913 0.387 . . . . 0.0 110.458 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.629 ' HG2' HG12 ' B' ' 44' ' ' ILE . 50.0 mt-30 -94.8 113.46 25.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.125 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.82 126.55 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.639 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -123.67 167.84 13.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.999 0.428 . . . . 0.0 110.731 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -70.08 152.12 44.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.0 7.03 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -101.28 164.75 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.753 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 60.9 p -105.56 179.91 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.411 HD11 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -68.27 -23.22 64.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 109.827 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -75.64 -37.13 59.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.237 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.72 -45.96 85.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.432 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.422 ' HE2' HG13 ' B' ' 23' ' ' ILE . 72.0 m-85 -86.49 -13.93 44.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 64.89 68.5 0.51 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.246 0.546 . . . . 0.0 110.791 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -103.71 145.42 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.583 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -106.0 166.89 10.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.795 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.468 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 20.1 pttp -80.72 155.8 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 60.1 29.35 18.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.969 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.472 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 19.4 p -89.36 156.65 18.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.403 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.1 m -106.16 103.21 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 111.218 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.45 HD11 ' N ' ' B' ' 67' ' ' LEU . 6.1 mp -89.64 153.08 21.02 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.491 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 79.8 m-70 -112.03 116.52 30.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.553 HD21 HG21 ' B' ' 7' ' ' THR . 43.2 tp -86.62 107.86 18.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 0.0 110.602 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.44 HG21 HD13 ' B' ' 44' ' ' ILE . 57.8 t -106.0 122.14 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.537 HD12 ' NE2' ' B' ' 40' ' ' GLN . 34.3 mt -89.63 147.89 23.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.905 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -88.77 -10.73 47.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.131 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 20.8 tp 61.9 50.33 4.26 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.674 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -106.99 -12.83 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.608 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.65 97.95 1.02 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.459 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.664 -1.076 . . . . 0.0 111.875 179.185 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.16 -30.6 68.29 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.6 m -81.11 35.66 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 111.43 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -79.4 78.11 5.92 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 m -108.61 111.43 23.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.042 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -102.11 81.57 2.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.363 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 68.0 mttm -81.41 153.25 27.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.787 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -106.71 134.86 49.22 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.99 137.3 9.14 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.547 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 HG13 ' CG2' ' A' ' 64' ' ' VAL . 63.8 mt -111.68 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.59 126.86 30.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.287 0.565 . . . . 0.0 111.031 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -85.46 -53.6 5.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.973 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-85 -85.08 -169.62 2.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -105.45 144.1 32.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.427 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 72.0 t80 -140.82 124.48 16.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 176.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.9 mmt -106.69 128.92 54.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.22 119.56 19.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -90.75 -33.16 15.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.906 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 t -112.15 169.42 8.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -75.72 -13.27 60.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.221 0.534 . . . . 0.0 110.373 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -72.33 -37.65 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.039 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -78.79 -178.3 5.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.448 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.623 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 34.3 tp -140.66 129.85 23.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.295 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 m -73.25 107.91 5.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.241 0.543 . . . . 0.0 110.803 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.427 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 20.8 pt -122.15 120.87 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.02 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.2 154.08 18.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.279 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.0 t -57.83 115.91 3.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.6 1.54 29.14 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.305 -176.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.48 171.65 14.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.021 0.439 . . . . 0.0 110.549 177.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 48' ' ' VAL . 62.7 tttt -130.37 116.5 18.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.312 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.632 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 16.0 m -128.17 144.3 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.361 -174.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CE2' HG22 ' A' ' 48' ' ' VAL . 56.2 m-85 -95.06 135.2 36.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.385 170.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.669 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 48.7 mt -93.0 111.61 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.49 HD11 HE21 ' A' ' 46' ' ' GLN . 81.3 mt -81.9 -54.39 5.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.336 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.905 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.9 m-20 -120.63 106.43 11.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.59 -20.45 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.951 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.96 18.81 14.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.195 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.905 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 53.2 tttm -62.28 -45.6 92.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -125.0 -81.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.092 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -175.79 -54.67 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.921 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -97.21 -48.15 5.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.082 0.468 . . . . 0.0 110.202 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -71.96 109.61 5.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.202 0.525 . . . . 0.0 110.571 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 49.6 m0 -108.5 158.12 17.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.281 -176.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.429 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 41.1 mtp -98.52 100.4 11.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.632 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.5 p -99.62 150.62 22.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 8.9 tt0 -127.54 125.22 39.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.105 178.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.479 ' HG ' HD21 ' A' ' 23' ' ' LEU . 82.7 mt -66.14 127.89 33.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.275 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 32' ' ' TYR . 38.9 t -63.48 -31.18 51.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.743 -174.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.64 -63.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -109.93 -13.59 14.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 111.634 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.19 35.35 9.73 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.0 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -87.17 120.0 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -111.56 150.52 29.9 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.798 0.332 . . . . 0.0 110.955 -176.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.623 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -168.96 169.19 41.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.898 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.2 mm? -82.17 128.48 34.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.839 0.352 . . . . 0.0 110.773 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.23 149.62 61.5 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.01 139.63 80.09 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.272 2.648 . . . . 0.0 113.366 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.47 62.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.625 0.726 . . . . 0.0 109.262 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -63.22 -16.54 60.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.73 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.431 ' HD1' ' CD1' ' A' ' 13' ' ' TYR . 22.0 m-85 -114.65 -15.17 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.536 -177.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -175.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -92.24 113.0 57.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.442 ' HB3' ' HB3' ' A' ' 66' ' ' ASP . 30.7 Cg_exo -61.58 120.9 8.78 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.577 2.185 . . . . 0.0 111.102 177.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.426 ' CG2' HG13 ' A' ' 10' ' ' ILE . 48.9 t -80.74 99.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 60.3 21.52 11.0 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.604 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 63' ' ' PRO . 37.4 t70 -94.71 132.09 39.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.614 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -77.67 102.34 7.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.296 0.57 . . . . 0.0 112.245 -172.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -140.23 136.41 33.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.536 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -135.63 177.51 7.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.035 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.3 m -74.67 -35.59 62.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--O 1.252 1.201 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.338 171.72 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.68 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.087 0.47 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -116.5 146.73 42.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.539 ' HB ' HD12 ' B' ' 67' ' ' LEU . 26.1 pt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 173.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -88.97 94.65 10.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.107 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.51 100.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.488 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -89.73 108.59 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.924 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.561 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.5 p -75.81 167.99 20.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.202 -173.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.423 ' O ' HD23 ' B' ' 8' ' ' LEU . 4.5 tt -58.86 -33.7 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.552 174.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -76.1 -3.45 36.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.759 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.48 25.17 40.17 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.654 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -99.57 129.86 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -96.0 90.38 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.098 0.475 . . . . 0.0 109.841 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 mm -95.04 108.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.248 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -76.16 111.72 11.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.429 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.0 129.7 43.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -90.69 100.89 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.321 0.581 . . . . 0.0 109.452 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.47 163.52 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.885 -176.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -113.04 161.88 16.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -68.38 -18.06 64.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -94.08 -2.88 52.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.67 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.7 158.21 28.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.732 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 22.3 p -92.81 161.89 14.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.626 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -62.69 -30.13 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.66 -49.35 75.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.967 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.5 ' O ' HG13 ' B' ' 30' ' ' ILE . 19.3 t -60.65 -46.11 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 83.9 mttt -58.95 -41.44 87.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -67.22 -36.81 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.739 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -64.91 -40.58 95.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.015 0.435 . . . . 0.0 110.674 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 26' ' ' VAL . 52.7 mt -69.26 -36.97 75.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.086 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.3 tt0 -68.17 -31.62 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.137 0.494 . . . . 0.0 110.501 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.78 -41.57 83.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -87.12 -49.5 7.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.28 -48.85 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.444 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 99.2 41.54 2.99 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.613 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.529 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 49.9 mt -112.42 135.85 21.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.7 Cg_endo -53.17 128.67 30.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.905 2.403 . . . . 0.0 112.502 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.7 Cg_exo -58.73 -37.69 92.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.29 2.66 . . . . 0.0 113.611 -174.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.9 -30.13 68.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 0.0 110.431 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -79.82 -34.82 39.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.061 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.529 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 26.9 mt-30 -68.09 99.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 177.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -112.12 108.8 18.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.354 0.597 . . . . 0.0 110.427 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 85.4 mt -78.97 146.93 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.325 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -130.61 120.67 48.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -107.67 103.53 12.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.536 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.04 17.37 6.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.573 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.99 -16.7 13.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.071 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.21 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -67.27 143.25 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.93 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 27.3 mt -115.32 103.55 10.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.725 0.298 . . . . 0.0 110.955 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.28 154.54 19.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.626 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.8 p-10 -78.17 164.68 24.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 177.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.98 -10.34 60.27 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.392 -174.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.594 ' HD2' ' OH ' ' B' ' 59' ' ' TYR . 50.4 mtt180 -126.63 173.05 9.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.732 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 52.1 p -103.08 176.09 5.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.698 0.285 . . . . 0.0 110.968 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.96 -29.68 70.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 110.046 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -71.78 -22.55 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -73.75 -6.71 48.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.303 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.594 ' OH ' ' HD2' ' B' ' 54' ' ' ARG . 93.0 m-85 -123.77 13.49 9.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -177.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 65.07 21.23 12.2 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.239 0.542 . . . . 0.0 111.025 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.75 133.84 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -108.86 -177.96 3.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.41 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.68 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 96.9 mttt -73.35 147.18 44.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.826 -175.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 63.41 28.92 15.6 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.132 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.1 m -78.52 152.07 32.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.746 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 84.8 m -104.29 124.31 48.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.183 175.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' B' ' 3' ' ' ILE . 6.8 mp -120.56 169.93 9.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.963 0.411 . . . . 0.0 110.652 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -122.06 138.65 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.004 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.561 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 58.3 tp -106.47 102.16 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.873 0.368 . . . . 0.0 110.366 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.6 t -102.59 129.75 53.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.5 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.23 127.86 34.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.145 0.498 . . . . 0.0 110.598 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -70.27 133.14 46.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.477 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.98 30.14 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.061 0.458 . . . . 0.0 110.803 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -137.45 142.31 41.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.302 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.46 -62.02 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.767 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.338 -1.257 . . . . 0.0 111.803 178.649 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.7 mtp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.81 173.97 12.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.685 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m 65.82 172.58 0.23 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.508 0.671 . . . . 0.0 112.198 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -131.2 -48.41 1.0 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.95 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 p -139.89 -57.51 0.56 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.748 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -175.19 155.3 1.9 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 46.8 mttm -70.85 131.73 44.21 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -135.59 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.884 0.373 . . . . 0.0 111.07 -176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.86 174.07 32.44 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.579 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.1 mt -127.99 129.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG21 HD13 ' A' ' 25' ' ' ILE . 2.5 p -87.01 127.15 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 0.0 111.006 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -102.46 -37.06 8.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.741 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.2 136.52 46.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.74 -176.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.45 138.94 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.185 177.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' HB3' HG12 ' A' ' 25' ' ' ILE . 82.2 t80 -140.88 139.48 34.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.002 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 78.2 mtp -115.2 131.4 56.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.506 -176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.87 -39.78 10.06 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 m -102.77 158.68 16.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.326 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -70.06 -17.96 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 -177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -74.65 -23.01 58.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.145 0.497 . . . . 0.0 110.371 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 42' ' ' TRP . 56.0 mt-10 -85.98 161.96 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.035 -173.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD22 ' HG ' ' A' ' 47' ' ' LEU . 55.2 tp -126.17 122.71 36.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.94 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.9 m -70.28 121.95 18.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.368 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 15' ' ' PHE . 16.6 pt -127.34 144.24 37.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.523 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -105.18 144.4 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.152 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -66.84 138.5 57.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.246 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.28 -0.04 61.67 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.876 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -91.23 158.13 16.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.192 0.52 . . . . 0.0 111.355 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' O ' HG11 ' A' ' 48' ' ' VAL . 12.6 mmmm -97.42 135.75 38.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.367 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.582 HG12 HD22 ' A' ' 47' ' ' LEU . 28.6 m -132.09 146.35 33.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.558 ' HB2' ' HB3' ' A' ' 46' ' ' GLN . 80.7 m-85 -91.17 154.78 19.09 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.551 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 52.3 mt -115.22 121.37 67.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 121.094 0.473 . . . . 0.0 110.134 178.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 52.5 mt -80.11 -56.3 4.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.498 ' H ' ' HB2' ' A' ' 44' ' ' MET . 27.7 m-20 -132.66 123.15 25.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.331 176.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.538 ' HB3' HG22 ' A' ' 33' ' ' ILE . 9.1 p-10 -112.91 -7.6 13.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.494 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 12.7 ptpt -130.04 8.64 5.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.88 -28.43 49.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 p -148.26 151.91 36.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.132 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -99.66 -21.41 15.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.659 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.571 ' HB3' HD11 ' B' ' 8' ' ' LEU . 5.8 m-20 -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.768 -172.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 22' ' ' GLU . 37.4 m95 -123.61 143.55 50.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.457 -0.792 . . . . 0.0 108.952 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.483 ' CZ3' ' HG3' ' A' ' 63' ' ' PRO . 43.1 m0 -113.57 159.84 19.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 0.0 111.488 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.498 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 67.7 mmm -92.65 97.18 10.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.302 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -105.65 146.23 29.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.321 0.582 . . . . 0.0 111.794 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 38.0 tt0 -121.46 118.85 30.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.947 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD22 HG12 ' A' ' 31' ' ' VAL . 95.8 mt -70.44 118.2 12.95 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 30' ' ' LYS . 8.8 p -63.56 -36.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.603 0.716 . . . . 0.0 110.103 176.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.18 -60.35 3.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.517 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.9 m -104.66 -38.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.79 17.98 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.835 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.33 141.01 58.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 111.216 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -125.49 156.53 38.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.46 -173.33 45.73 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.538 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -88.1 127.66 35.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 110.834 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.13 153.79 81.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.807 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.5 123.75 13.71 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.447 2.098 . . . . 0.0 111.704 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -31.89 64.61 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 59' ' ' GLN . 8.1 tt0 -78.34 -6.71 55.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.681 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -93.23 -4.24 52.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.167 -0.333 . . . . 0.0 110.904 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mm -121.15 133.76 66.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.253 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -95.65 109.83 47.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 167.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.1 Cg_exo -76.39 115.77 4.17 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.214 1.942 . . . . 0.0 110.674 177.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.474 HG11 ' O ' ' A' ' 64' ' ' VAL . 7.1 p -82.82 78.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.273 1.035 . . . . 0.0 110.206 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 17.4 mtm180 -93.48 -33.31 13.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.906 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -160.12 -61.89 0.06 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.019 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -117.63 146.95 43.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.528 . . . . 0.0 111.994 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -129.86 159.48 36.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.933 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -84.58 -40.44 17.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.872 0.368 . . . . 0.0 110.389 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.3 p -78.8 95.76 5.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.391 0.615 . . . . 0.0 112.04 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.055 174.129 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.566 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 17.3 ptt? . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -112.93 123.98 51.57 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.411 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.418 ' HB ' HD13 ' B' ' 67' ' ' LEU . 35.5 pt -117.42 146.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.54 173.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -95.38 102.88 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.364 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.9 t -94.6 108.52 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.718 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.91 111.28 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.504 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.585 HG21 HD21 ' B' ' 69' ' ' LEU . 47.4 p -77.02 165.01 25.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.888 HD13 ' H ' ' B' ' 71' ' ' LEU . 49.0 mt -51.42 -34.8 36.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 111.471 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -83.67 2.04 39.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.927 -172.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.33 0.33 61.38 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.772 -0.727 . . . . 0.0 113.063 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -71.38 111.82 7.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.7 m -95.0 95.16 8.42 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 mt -100.77 113.08 35.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.112 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -76.07 111.59 11.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.45 131.68 54.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -81.87 105.0 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.521 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.06 141.99 43.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.312 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.4 OUTLIER -92.22 154.81 18.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.9 p -64.94 -26.62 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.257 0.551 . . . . 0.0 110.325 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.3 m -85.68 0.18 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.537 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.0 m-20 -79.5 152.69 30.06 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 53.7 p -91.58 159.98 15.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.763 174.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.556 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.4 mm -61.43 -29.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 172.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.95 -47.93 83.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.283 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.677 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.4 t30 -69.97 -36.28 75.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.32 -177.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -60.59 -40.69 85.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 86.0 mttt -61.29 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.365 178.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.9 p -73.17 -26.75 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.253 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.677 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.5 mttm -62.22 -49.0 77.49 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.6 mt -71.57 -35.41 56.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.547 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 24.1 tm0? -62.73 -29.36 70.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.077 0.465 . . . . 0.0 109.941 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.05 -52.18 7.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.968 176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -64.94 -53.5 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.762 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -100.88 -40.46 7.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.787 0.327 . . . . 0.0 111.206 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.547 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 102.04 40.77 2.58 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.689 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.512 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 27.6 mt -106.7 122.81 40.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 122.698 -0.295 . . . . 0.0 110.28 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.3 Cg_endo -51.35 128.72 26.51 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.496 2.797 . . . . 0.0 112.9 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.502 ' HD3' ' HG3' ' B' ' 31' ' ' GLN . 38.9 Cg_exo -61.64 -34.64 83.84 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.37 2.713 . . . . 0.0 113.202 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.94 -28.26 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 0.0 110.229 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 27.8 tt0 -78.98 -36.02 42.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' B' ' 69' ' ' LEU . 27.5 mt-30 -70.02 116.51 10.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.121 -176.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 70.6 mtp180 -118.15 111.14 18.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.817 173.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -87.17 132.83 33.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.403 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.18 121.58 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 110.266 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -128.76 112.73 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.624 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 39.48 27.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.658 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.48 -4.78 80.59 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.515 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.12 112.98 25.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.707 0.289 . . . . 0.0 110.471 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -72.42 115.05 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 67.6 mt -84.59 106.12 15.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.346 0.593 . . . . 0.0 111.617 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -77.13 141.12 40.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.225 174.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.556 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.4 p30 -85.71 150.18 24.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.08 -4.37 30.2 Favored Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -167.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -122.14 165.79 15.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 75.2 p -101.65 168.32 9.55 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.25 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.6 t -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.739 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.13 -42.23 84.78 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.978 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -89.45 -13.54 37.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 60.28 76.96 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.678 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.4 132.22 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.593 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.44 177.66 6.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.17 0.51 . . . . 0.0 111.035 -175.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.566 ' HG3' ' HB2' ' B' ' 1' ' ' MET . 25.0 ttpp -86.1 152.16 23.09 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 172.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 72.29 8.05 5.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.507 0.504 . . . . 0.0 110.761 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 56.2 m -79.17 143.22 35.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 0.0 111.06 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 33.2 m -101.93 117.63 35.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.88 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.418 HD13 ' HB ' ' B' ' 3' ' ' ILE . 6.9 mp -108.35 147.33 31.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.562 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -111.85 127.82 55.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.585 HD21 HG21 ' B' ' 7' ' ' THR . 43.3 tp -100.53 103.66 15.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.1 0.476 . . . . 0.0 110.945 -175.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.618 HG13 HD22 ' B' ' 8' ' ' LEU . 23.1 t -98.31 127.99 50.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.09 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.888 ' H ' HD13 ' B' ' 8' ' ' LEU . 87.6 mt -101.15 134.38 44.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.154 0.502 . . . . 0.0 111.523 -172.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 37.9 ttt180 -67.51 139.88 57.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.879 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -76.33 8.13 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 65.68 -67.57 0.13 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.779 0.832 . . . . 0.0 111.252 -178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -171.01 75.77 0.1 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.826 -0.986 . . . . 0.0 111.946 -177.278 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.567 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 69.3 mtm . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.96 60.3 6.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.11 0.481 . . . . 0.0 110.285 176.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -95.93 169.78 9.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.794 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -79.0 102.0 8.1 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m 73.56 138.87 0.06 Allowed 'General case' 0 C--O 1.232 0.163 0 O-C-N 124.117 0.885 . . . . 0.0 111.552 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -74.01 110.91 8.68 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.621 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 92.8 mttt -67.18 145.91 54.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.078 -174.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -109.88 128.37 55.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.469 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.555 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -136.25 162.26 25.04 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.478 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.7 mt -126.45 133.02 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.595 HG22 HD12 ' A' ' 25' ' ' ILE . 3.4 p -82.7 136.68 22.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -99.4 -25.87 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.103 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -125.96 146.74 49.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.618 0.247 . . . . 0.0 111.052 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.95 128.95 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' HB3' HG12 ' A' ' 25' ' ' ILE . 87.1 t80 -127.54 110.42 12.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.136 0.493 . . . . 0.0 110.071 177.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.621 ' HA ' HG21 ' A' ' 24' ' ' THR . 82.5 mtp -93.34 118.14 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.879 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -70.64 140.39 51.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.208 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.24 -19.87 16.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.1 p -123.06 173.24 7.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -72.97 -25.12 60.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.537 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' HB3' HD12 ' A' ' 55' ' ' LEU . 2.1 m-20 -65.78 -38.93 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.323 0.582 . . . . 0.0 110.842 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 16.3 mt-10 -82.12 156.74 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.773 -175.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.439 HD21 ' HG ' ' A' ' 47' ' ' LEU . 59.7 tp -107.99 119.15 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.621 HG21 ' HA ' ' A' ' 16' ' ' MET . 36.0 m -70.64 113.44 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 177.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD12 HG22 ' A' ' 11' ' ' VAL . 9.2 pt -119.17 149.72 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.326 -174.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -116.29 145.33 43.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.761 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -56.29 117.96 4.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.898 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -12.57 31.11 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.438 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.6 138.83 55.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.618 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -91.83 133.1 35.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.237 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.65 HG22 HD13 ' A' ' 61' ' ' ILE . 8.2 m -129.16 140.26 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.16 0.505 . . . . 0.0 111.447 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 28.5 m-85 -89.07 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.335 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.621 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.1 mt -91.59 113.2 26.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.942 0.401 . . . . 0.0 110.047 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 1' ' ' MET . 3.3 mm? -82.99 -59.67 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.131 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' H ' ' HB2' ' A' ' 44' ' ' MET . 8.7 t70 -129.67 119.21 23.16 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.426 177.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 11.8 p-10 -118.79 18.78 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.177 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HZ3' ' HB3' ' A' ' 37' ' ' LYS . 7.5 mtpm? -111.51 -30.11 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.834 -170.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HG2' ' OD1' ' A' ' 35' ' ' ASP . 45.7 mmtm -70.51 -34.58 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.091 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -147.48 166.8 26.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.033 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.603 ' HD3' ' H ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -122.74 8.69 9.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.519 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HA ' ' CD2' ' B' ' 8' ' ' LEU . 9.9 m-20 -102.85 -52.58 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.692 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -124.13 137.14 54.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.686 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.513 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 27.3 m0 -120.95 162.11 20.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.475 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 80.4 mmm -90.93 121.24 32.59 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 173.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.455 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 90.6 m -134.47 155.38 50.45 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.739 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -127.56 130.36 48.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.052 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 25' ' ' ILE . 96.2 mt -66.43 114.02 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.412 HG22 ' CE2' ' A' ' 32' ' ' TYR . 68.8 t -58.26 -30.82 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 0.0 110.796 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.41 -53.27 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.969 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -96.57 -40.38 9.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.72 -3.93 36.55 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.58 145.59 38.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.563 0.221 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 t -127.89 165.72 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.79 0.329 . . . . 0.0 110.249 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.59 -171.73 44.21 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 21' ' ' ASP . 77.6 mt -87.03 129.7 34.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.324 . . . . 0.0 110.896 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 30.7 m -134.69 147.56 63.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 19.0 Cg_exo -66.9 126.43 15.25 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.641 2.227 . . . . 0.0 111.695 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.32 -15.47 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.29 -174.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.762 HE21 ' HG ' ' B' ' 8' ' ' LEU . 11.3 pt20 -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.254 -177.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -110.86 -9.53 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.309 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.65 HD13 HG22 ' A' ' 31' ' ' VAL . 49.3 mm -101.13 114.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -108.79 106.06 58.12 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.555 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 22.7 Cg_exo -65.51 131.92 29.45 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.61 2.207 . . . . 0.0 111.423 175.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m -78.04 -43.96 27.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.691 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -167.91 131.8 1.69 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.688 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 178.68 -84.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 9.9 mmtp -163.55 95.01 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.761 170.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.507 ' HD3' ' HB2' ' A' ' 63' ' ' PRO . 50.1 mtmt -94.62 -8.15 38.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.227 0.536 . . . . 0.0 110.402 177.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -113.7 150.32 33.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.944 176.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.2 p -85.01 137.46 33.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.316 -0.85 . . . . 0.0 109.707 -179.566 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.674 0.749 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -97.05 125.58 41.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.009 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -117.53 152.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -104.21 98.3 8.13 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.461 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -86.22 106.2 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.749 0.785 . . . . 0.0 110.137 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -93.34 106.64 18.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.478 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.546 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 63.3 p -74.79 170.1 16.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.762 ' HG ' HE21 ' A' ' 59' ' ' GLN . 2.4 tt -61.56 -30.05 70.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.204 177.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.8 p -81.31 -2.15 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.756 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.87 1.16 73.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.519 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -75.74 113.37 13.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -100.94 105.22 16.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.015 0.436 . . . . 0.0 110.114 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.461 ' HB ' HG13 ' B' ' 5' ' ' VAL . 53.3 mt -99.35 135.04 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 -176.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -82.77 111.45 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.58 HD13 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.06 126.04 52.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -91.53 104.62 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.19 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.58 HG13 HD13 ' B' ' 15' ' ' LEU . 31.2 m -134.9 154.7 37.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.656 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.42 156.33 23.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.629 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.515 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 12.9 m -66.25 -23.96 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.399 . . . . 0.0 111.34 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -82.27 -0.48 45.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.931 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -99.4 164.18 12.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.679 0.276 . . . . 0.0 110.543 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.725 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -91.05 164.06 14.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.503 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.421 HD11 HD22 ' B' ' 50' ' ' LEU . 49.9 mm -65.37 -29.58 47.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.276 0.56 . . . . 0.0 109.694 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 11.2 t70 -64.04 -41.55 97.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.421 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.658 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 23.9 t-20 -62.8 -42.49 99.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.796 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.516 ' O ' HG13 ' B' ' 30' ' ' ILE . 63.5 t -58.68 -42.11 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.405 174.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 91.2 mttt -53.77 -47.61 70.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.153 177.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -65.98 -34.91 79.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.989 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.658 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.4 mttm -67.89 -29.75 68.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.675 0.274 . . . . 0.0 110.976 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.516 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -75.69 -41.6 40.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.756 0.312 . . . . 0.0 110.21 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.419 ' HG3' ' HA2' ' B' ' 35' ' ' GLY . 32.5 tt0 -63.7 -34.75 78.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 109.892 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.7 -30.23 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 44.1 mmtm -91.02 -69.37 0.74 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.719 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.95 -48.36 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.33 -171.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.419 ' HA2' ' HG3' ' B' ' 31' ' ' GLN . . . 118.82 -3.6 14.73 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.516 175.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.01 129.01 91.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.795 0.298 . . . . 0.0 110.794 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.06 132.98 55.22 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.088 2.525 . . . . 0.0 113.026 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.45 -26.87 83.74 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.481 2.787 . . . . 0.0 112.792 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.6 -27.28 67.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.421 0.629 . . . . 0.0 110.34 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -96.31 -29.28 14.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.478 ' HB3' HD12 ' B' ' 69' ' ' LEU . 26.0 mt-30 -72.93 117.81 15.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.782 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.596 ' HD2' ' HB2' ' B' ' 72' ' ' ARG . 74.4 mtp180 -121.4 126.24 48.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.63 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 6.4 mp -97.24 138.59 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -178.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -125.27 125.47 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.479 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -128.74 111.08 12.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.173 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 16.96 9.58 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.81 -15.51 44.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.563 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.0 ttmm -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -91.51 124.2 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.881 0.372 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.63 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.3 mp -93.92 110.7 22.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.524 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -99.77 168.18 10.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.562 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 1.3 p30 -79.2 19.93 0.54 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.165 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.5 0.03 30.88 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.131 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.502 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 72.3 mtt-85 -137.37 174.25 10.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.118 0.459 . . . . 0.0 111.141 -178.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.725 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.4 p -102.49 179.18 4.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.654 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.0 mp -66.13 -31.44 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 110.516 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 t -68.21 -31.7 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.626 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.06 -37.14 86.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.563 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 97.8 m-85 -95.66 2.04 53.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.9 m120 57.69 40.35 26.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.277 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.477 HD11 HD21 ' B' ' 50' ' ' LEU . 81.3 mt -69.61 124.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.217 -177.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -83.43 165.91 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.727 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -74.77 142.51 44.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.286 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 62.21 30.95 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.779 0.674 . . . . 0.0 111.196 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 p -85.92 155.56 20.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -101.41 103.65 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.233 0.54 . . . . 0.0 110.908 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.71 144.13 25.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.499 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -97.85 125.28 42.65 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 44.2 tp -99.98 110.08 22.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.088 0.47 . . . . 0.0 110.367 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -111.5 136.27 48.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.721 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.69 143.13 29.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.032 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.596 ' HB2' ' HD2' ' B' ' 42' ' ' ARG . 32.2 ttm180 -82.84 -3.0 56.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 175.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 81.6 mt 63.02 85.76 0.13 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.898 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -93.17 108.36 19.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 173.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.83 34.19 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.869 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 119.091 -0.838 . . . . 0.0 111.036 178.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.33 114.78 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.379 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -142.11 -179.58 6.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.809 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.81 -50.19 71.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.874 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -67.42 107.58 2.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.129 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.12 -176.91 6.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.273 -173.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 67.2 mttt -97.46 136.09 38.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.503 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -117.99 150.5 39.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.288 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.92 159.13 28.31 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.175 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -124.16 125.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -79.0 126.96 39.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.766 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -100.28 -23.86 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.961 -175.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -123.46 134.23 53.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.52 137.01 58.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.243 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' HB3' HG12 ' A' ' 25' ' ' ILE . 54.6 t80 -130.73 109.04 10.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.997 0.427 . . . . 0.0 111.101 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.432 ' HA ' HG21 ' A' ' 24' ' ' THR . 26.5 mmt -86.56 126.97 34.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.768 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -78.55 122.91 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 111.391 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.562 ' HB2' ' NE2' ' B' ' 49' ' ' GLN . 10.9 tp10 -88.82 -50.03 6.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 t -93.18 164.35 13.28 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -77.58 -7.32 56.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.995 0.426 . . . . 0.0 111.095 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.24 -27.37 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.37 0.605 . . . . 0.0 109.758 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 35.9 mt-10 -79.68 153.02 29.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.021 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.638 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 47.3 tp -105.72 121.46 44.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.432 HG21 ' HA ' ' A' ' 16' ' ' MET . 4.1 m -76.78 107.1 8.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.892 0.377 . . . . 0.0 110.209 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.528 HG12 ' HB3' ' A' ' 15' ' ' PHE . 14.5 pt -123.78 155.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.467 -173.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -115.91 150.2 37.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.557 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 t -61.68 123.06 16.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.93 -6.17 37.17 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.868 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.64 155.45 31.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.277 0.561 . . . . 0.0 111.132 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HB3' HG12 ' A' ' 48' ' ' VAL . 3.6 tmtp? -104.16 129.67 51.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.393 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.509 HG13 HD21 ' A' ' 47' ' ' LEU . 27.7 m -134.49 163.67 36.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.375 0.607 . . . . 0.0 112.053 -177.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.739 ' CE2' HG22 ' A' ' 48' ' ' VAL . 24.8 m-85 -100.84 146.12 27.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.0 mt -103.12 126.24 57.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 34' ' ' LEU . 2.8 mm? -98.16 -74.16 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.246 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 14.4 t0 -105.58 112.48 25.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.606 -177.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -122.0 -58.17 1.74 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -66.07 -7.86 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -171.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -77.87 -19.96 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -151.17 167.54 27.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -120.54 13.71 11.77 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.586 ' HB3' HD12 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -114.87 -68.16 0.94 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.054 -170.535 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 60.0 m95 -118.35 134.48 55.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.206 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -119.25 154.48 33.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.968 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.442 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 41.0 mtp -95.9 124.67 40.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.4 m -132.21 157.95 43.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.103 0.477 . . . . 0.0 111.046 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 35.3 tt0 -132.03 133.94 44.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.173 -177.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.509 HD21 HG13 ' A' ' 31' ' ' VAL . 97.1 mt -59.84 119.36 7.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.739 HG22 ' CE2' ' A' ' 32' ' ' TYR . 14.0 p -50.07 -49.6 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.951 0.782 . . . . 0.0 113.083 -167.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.34 -35.43 15.24 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.357 -175.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 m -78.06 -43.36 29.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -170.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.74 -9.56 56.99 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.544 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HB2' HD11 ' A' ' 47' ' ' LEU . 96.2 mttt -67.48 119.37 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.5 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -116.79 141.63 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.357 -177.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.638 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -161.95 -175.78 33.34 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.167 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 28.2 tp -100.43 128.49 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG13 HD12 ' A' ' 25' ' ' ILE . 29.8 m -135.12 158.13 75.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.939 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.33 134.74 37.24 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.628 2.218 . . . . 0.0 111.946 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.75 73.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.975 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.538 ' NE2' HD22 ' B' ' 8' ' ' LEU . 9.8 pt20 -80.56 3.45 21.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.103 -176.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.87 -20.22 16.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.069 0.461 . . . . 0.0 110.181 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -107.77 126.96 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.376 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 12.6 tp10 -103.76 106.02 50.61 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 62' ' ' GLU . 14.9 Cg_exo -68.34 120.6 7.55 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.239 2.626 . . . . 0.0 113.027 -174.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.543 HG23 ' HB2' ' A' ' 68' ' ' LYS . 5.6 p -102.5 91.42 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.997 0.903 . . . . 0.0 109.735 176.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' C ' ' H ' ' A' ' 67' ' ' LYS . 21.1 mtm180 -112.09 92.6 4.09 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.781 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 72.13 -37.8 0.4 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.195 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 65' ' ' ARG . 71.7 mmtt -138.07 157.06 47.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.543 ' HB2' HG23 ' A' ' 64' ' ' VAL . 4.8 ttpm? -129.61 143.17 50.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -132.42 147.33 52.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.706 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.8 p -122.75 -37.98 2.69 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.931 172.475 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.629 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 21.0 ptt? . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.683 0.754 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.45 ' HB2' ' OE1' ' B' ' 64' ' ' GLU . 20.7 mt-30 -107.06 120.47 42.18 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.407 -1.27 . . . . 0.0 111.299 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.644 ' HB ' HD13 ' B' ' 67' ' ' LEU . 43.2 pt -120.48 133.18 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 169.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 92.6 m-85 -90.87 102.29 15.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.025 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.6 t -83.01 105.8 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -102.34 110.35 22.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.913 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.598 HG23 HD21 ' B' ' 69' ' ' LEU . 47.0 p -82.71 174.28 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.15 0.5 . . . . 0.0 111.969 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.8 HD11 ' H ' ' B' ' 71' ' ' LEU . 30.8 mt -60.76 -34.37 74.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.694 174.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -84.75 -10.88 56.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.426 -169.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.73 9.01 31.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.758 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -84.04 107.04 16.16 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 10.8 m -106.63 92.54 4.15 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -104.53 129.63 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.576 -175.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -74.99 111.67 10.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.109 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 128.85 44.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -89.62 95.01 10.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.869 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' B' ' 1' ' ' MET . 9.9 m -128.11 152.99 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.764 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -97.57 167.09 11.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -67.92 -24.73 65.23 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.972 0.415 . . . . 0.0 111.442 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -89.21 0.52 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.038 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.69 142.12 38.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.638 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 34.2 p -86.34 152.68 22.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.426 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 49.5 mm -57.78 -38.25 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.767 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 1.3 p30 -60.45 -38.93 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.165 177.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.607 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 11.1 t-20 -70.03 -38.67 75.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.424 HG22 HD21 ' B' ' 56' ' ' LEU . 60.6 t -62.52 -41.61 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.404 176.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 98.8 mttt -57.49 -43.11 83.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 109.866 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t -66.41 -36.56 83.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.013 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.5 mttm -57.84 -43.32 85.79 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 109.994 176.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.92 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.561 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 9.2 tt0 -61.96 -39.35 91.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 176.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.646 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -74.38 -77.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.958 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.56 -6.62 25.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.528 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.68 43.75 7.15 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.393 175.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.5 mt -105.97 121.47 45.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.65 128.91 31.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.18 2.586 . . . . 0.0 113.392 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.7 Cg_exo -61.3 -35.67 83.28 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.373 2.715 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.21 -19.27 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.634 HE22 HD12 ' B' ' 71' ' ' LEU . 0.4 OUTLIER -100.52 -7.78 23.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.617 -174.431 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.676 ' HB3' HD13 ' B' ' 69' ' ' LEU . 25.6 mt-30 -103.93 134.22 47.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.601 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -133.32 113.19 12.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.05 0.453 . . . . 0.0 109.907 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -85.01 152.46 23.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.339 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 67.4 mt -137.26 127.35 38.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.747 0.308 . . . . 0.0 110.328 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -132.66 120.19 21.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.47 27.6 17.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.652 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.43 -17.98 57.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.279 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.631 ' HB2' ' HZ1' ' B' ' 48' ' ' LYS . 10.0 mtmp? -91.51 127.56 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.562 ' NE2' ' HB2' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -77.39 143.18 38.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.194 0.521 . . . . 0.0 110.536 178.762 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 9.2 mt -111.32 112.57 24.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.614 -176.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -117.39 179.24 4.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.336 0.588 . . . . 0.0 111.859 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' B' ' 24' ' ' ASP . 6.8 m-20 -68.81 149.58 48.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.078 -173.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.74 -41.85 2.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.567 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.549 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 17.1 mmt180 -97.22 162.09 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.638 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.8 p -95.51 178.38 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.951 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.424 HD21 HG22 ' B' ' 26' ' ' VAL . 3.7 mm? -64.01 -34.55 78.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.359 0.6 . . . . 0.0 109.907 173.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 t -74.32 -31.15 62.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.132 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 13.3 t70 -65.35 -45.15 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.184 -177.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.549 ' CE2' ' HB2' ' B' ' 54' ' ' ARG . 48.9 m-85 -79.82 5.65 13.07 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 60.91 67.98 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.603 0.716 . . . . 0.0 110.358 -177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.0 mt -113.59 129.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.236 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -92.05 164.62 13.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.629 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 56.8 pttt -86.31 169.14 13.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.45 ' OE1' ' HB2' ' B' ' 2' ' ' GLN . 7.7 mm-40 62.18 20.33 11.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.309 0.575 . . . . 0.0 110.217 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -108.75 157.38 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.033 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 17.7 m -100.81 117.67 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 111.002 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.644 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.3 mp -99.54 138.74 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.388 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -96.58 121.49 38.47 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.177 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.676 HD13 ' HB3' ' B' ' 41' ' ' GLN . 46.7 tp -97.11 100.76 12.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.24 0.543 . . . . 0.0 110.588 -178.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.523 HG12 HD21 ' B' ' 8' ' ' LEU . 45.1 t -96.92 120.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.209 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.8 ' H ' HD11 ' B' ' 8' ' ' LEU . 74.4 mt -86.44 156.05 20.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.769 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.76 -8.26 54.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 93.0 mt 58.55 57.81 3.63 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -173.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 58.41 87.49 0.07 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.567 -171.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.12 81.13 0.29 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.959 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -178.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.34 78.47 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 173.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -81.92 107.68 14.82 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.702 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -97.35 34.48 1.78 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.235 -173.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p 48.05 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.002 0.814 . . . . 0.0 111.279 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' HD3' HD23 ' A' ' 34' ' ' LEU . 24.1 ttmm -59.18 123.95 18.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.846 -174.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 11.3 ptmt -40.64 119.53 1.12 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.326 175.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.422 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 81.1 mtp180 -105.54 155.32 19.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.293 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.85 168.83 28.06 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.924 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -130.31 131.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.709 HG23 HD11 ' A' ' 25' ' ' ILE . 5.3 p -83.9 134.15 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 110.821 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -99.35 -11.89 20.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.037 -174.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.36 171.59 11.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.015 0.436 . . . . 0.0 111.234 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.17 155.29 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.693 171.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -160.22 132.3 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.669 0.271 . . . . 0.0 110.887 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.4 mtt -100.1 127.15 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.849 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -81.14 156.1 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.893 0.378 . . . . 0.0 111.283 -178.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -114.84 -46.37 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.266 0.555 . . . . 0.0 110.002 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -99.26 168.45 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.44 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.558 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.34 -34.86 79.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.45 0.643 . . . . 0.0 110.217 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 28.5 mt-10 -89.02 160.23 17.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.972 -171.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 HD22 ' HG ' ' A' ' 47' ' ' LEU . 60.9 tp -126.18 123.72 38.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.6 m -71.65 119.83 16.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.505 177.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.709 HD11 HG23 ' A' ' 11' ' ' VAL . 12.1 pt -123.58 153.73 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.984 -176.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -127.45 149.57 50.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.6 m -54.86 116.86 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.353 0.408 . . . . 0.0 110.391 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.49 -10.26 30.62 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.148 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.13 127.06 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.239 0.52 . . . . 0.0 110.366 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -79.35 127.06 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.602 HG11 HD22 ' A' ' 47' ' ' LEU . 17.0 m -128.51 150.78 34.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.393 0.616 . . . . 0.0 112.414 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CE2' HG22 ' A' ' 48' ' ' VAL . 62.8 m-85 -96.34 131.27 43.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.097 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.565 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 55.6 mt -91.32 110.09 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 43.5 mt -80.02 -74.73 0.29 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.577 ' H ' ' HB2' ' A' ' 44' ' ' MET . 1.7 m-20 -121.58 136.34 54.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.313 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' CG ' ' HZ3' ' A' ' 7' ' ' LYS . 10.6 p30 -128.53 -62.85 1.01 Allowed 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -175.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -53.65 -26.61 23.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -71.36 -19.46 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.3 m -127.94 157.72 39.8 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -126.31 2.64 7.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.682 0.753 . . . . 0.0 109.863 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -124.89 -51.67 1.68 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.192 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.599 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 71.5 m95 -122.8 118.26 27.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.003 0.43 . . . . 0.0 110.803 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -101.99 157.12 17.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.577 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.3 mmm -87.19 112.3 21.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.675 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 92.8 m -129.85 149.65 51.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.749 0.309 . . . . 0.0 110.997 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -122.81 124.91 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.203 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.602 HD22 HG11 ' A' ' 31' ' ' VAL . 96.2 mt -67.27 122.11 17.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.337 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.522 HG22 ' CE2' ' A' ' 32' ' ' TYR . 38.5 t -66.86 -25.66 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.636 0.731 . . . . 0.0 110.204 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.66 -11.84 44.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.797 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 t -126.92 -35.85 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.904 -174.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.16 -6.43 75.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.009 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -82.46 137.06 34.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 p -115.34 156.51 25.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.63 -175.45 47.27 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.961 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 42' ' ' TRP . 3.9 mm? -87.32 124.32 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.411 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.88 153.94 70.85 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.042 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 115.32 2.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.515 2.144 . . . . 0.0 112.067 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.925 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 8.6 tt0 -70.14 -12.17 61.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.343 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -94.5 -8.38 38.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.591 0.234 . . . . 0.0 111.175 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.28 137.2 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.998 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -116.96 108.17 44.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.04 115.44 4.27 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.917 2.411 . . . . 0.0 112.137 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -97.68 -9.28 9.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.574 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -64.31 -16.82 62.91 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.407 -175.349 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 12.1 t70 -166.11 -12.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.342 . . . . 0.0 110.332 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp 76.65 161.19 0.22 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.021 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -80.73 151.84 28.66 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -127.39 -90.0 0.53 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.344 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.7 m -108.37 91.05 3.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.046 -175.372 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.579 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 21.1 ptt? . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.021 0.439 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -124.43 130.7 52.96 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -119.97 154.66 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.342 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -99.14 107.73 20.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.709 0.29 . . . . 0.0 110.245 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -91.77 96.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.957 0.408 . . . . 0.0 109.933 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.17 108.16 18.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.842 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -76.32 173.12 11.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.354 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' B' ' 70' ' ' VAL . 24.1 mt -61.25 -32.34 72.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 178.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.9 p -84.71 1.78 44.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.359 -172.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 26.24 33.49 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.909 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -104.15 119.89 39.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -91.74 95.28 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.897 0.38 . . . . 0.0 110.642 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.78 116.66 30.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -78.01 116.42 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.466 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -108.45 116.52 32.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' B' ' 1' ' ' MET . 23.6 tt0 -86.39 98.21 10.87 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.253 0.549 . . . . 0.0 109.69 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.46 161.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.651 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -104.32 170.22 8.02 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.964 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -69.85 -25.96 63.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.482 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -80.82 -1.43 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.07 163.7 15.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.576 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 39.4 p -106.33 152.32 23.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.64 0.257 . . . . 0.0 110.905 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.643 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.8 mm -58.28 -38.18 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.042 0.449 . . . . 0.0 110.971 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.873 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 1.1 p-10 -62.5 -38.42 89.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.2 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.45 -37.41 65.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.96 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.465 ' O ' HG13 ' B' ' 30' ' ' ILE . 82.7 t -61.25 -42.08 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.508 ' HE2' ' HG3' ' B' ' 41' ' ' GLN . 84.7 mttt -53.84 -40.46 66.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 110.597 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -66.93 -38.99 87.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.517 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -73.52 -18.53 61.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 26' ' ' VAL . 77.5 mt -81.36 -41.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.98 -33.19 74.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.777 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.35 -33.99 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.758 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -107.88 -57.37 2.11 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.461 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . 9.8 tp10 -86.5 -34.14 20.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.262 -175.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.5 18.17 29.01 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.902 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.473 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 79.0 mt -82.63 114.75 54.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.469 0.175 . . . . 0.0 110.729 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 10.1 Cg_endo -55.49 137.87 78.85 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.729 2.286 . . . . 0.0 111.897 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.6 Cg_exo -61.55 -26.61 80.88 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.949 2.433 . . . . 0.0 113.154 -175.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -86.23 -0.86 56.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.902 0.382 . . . . 0.0 111.264 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -114.85 8.84 16.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.496 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.6 ' HB2' HD11 ' B' ' 69' ' ' LEU . 9.9 pt20 -133.24 150.08 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.444 -0.503 . . . . 0.0 112.148 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -135.69 136.48 40.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.349 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.423 HD11 ' N ' ' B' ' 43' ' ' LEU . 6.6 mp -91.97 128.51 37.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -122.45 114.61 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.762 0.315 . . . . 0.0 110.497 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 39.8 t80 -110.85 110.19 20.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 18.47 5.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.918 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.84 -8.69 43.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.023 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.38 127.36 32.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.251 0.548 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.409 ' HG2' ' HG2' ' B' ' 51' ' ' GLU . 18.8 tt0 -69.96 113.35 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.385 176.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 43.5 mt -107.02 94.23 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.409 ' HG2' ' HG2' ' B' ' 49' ' ' GLN . 6.1 mm-40 -92.59 153.26 19.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.296 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.873 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 1.8 p-10 -71.54 165.82 23.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.157 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.24 -27.62 12.33 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -123.36 168.92 11.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 111.457 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.576 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 55.5 p -85.09 166.06 16.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.126 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mp -69.9 -27.34 64.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 175.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -60.27 -40.48 90.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.24 -41.82 93.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -79.77 -1.36 38.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 61.09 39.91 15.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.291 0.567 . . . . 0.0 111.399 177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.417 ' O ' ' HE2' ' B' ' 1' ' ' MET . 68.0 mt -83.59 125.48 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -105.53 174.03 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.579 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 10.9 ptmm? -72.54 156.11 39.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.993 0.425 . . . . 0.0 111.632 -177.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 64.93 22.16 12.43 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.059 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.479 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 12.3 p -82.89 144.17 30.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.797 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.2 m -97.14 102.09 13.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.22 0.533 . . . . 0.0 110.838 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.417 ' HG ' ' HB2' ' B' ' 45' ' ' PHE . 6.8 mp -92.9 141.87 27.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.434 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -104.97 119.99 40.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' B' ' 41' ' ' GLN . 31.5 tp -90.54 104.05 16.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.126 0.489 . . . . 0.0 110.414 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.55 ' HA ' HD21 ' B' ' 8' ' ' LEU . 58.2 t -106.41 128.23 61.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.842 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.498 ' H ' HD12 ' B' ' 8' ' ' LEU . 21.4 mt -73.16 160.02 32.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.297 -176.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -97.32 -2.29 42.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.22 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 18.2 tp 57.87 22.01 8.2 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.319 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -121.39 98.45 5.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.069 0.461 . . . . 0.0 110.847 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.03 39.49 0.68 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.848 0 CA-C-O 118.94 -0.922 . . . . 0.0 111.382 -176.273 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.09 24.23 14.35 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.319 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 68.83 108.87 0.05 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.813 0.695 . . . . 0.0 110.895 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt 70.67 108.34 0.06 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.277 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m -127.27 119.26 25.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.874 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -79.41 150.79 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -81.51 142.79 32.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.265 0.555 . . . . 0.0 111.404 -171.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -97.18 137.01 36.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.823 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -138.79 143.95 14.82 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.53 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.738 HG13 ' HG2' ' A' ' 30' ' ' LYS . 1.7 mp -108.2 110.18 31.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 173.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.6 HG22 HD12 ' A' ' 25' ' ' ILE . 2.8 p -67.4 135.93 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.069 0.462 . . . . 0.0 111.199 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.476 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 31.9 mm-40 -100.83 -12.87 18.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.041 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -121.63 145.4 48.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.855 0.359 . . . . 0.0 111.213 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.72 116.99 21.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.692 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.44 ' HB3' HG12 ' A' ' 25' ' ' ILE . 41.3 t80 -112.0 121.27 44.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -102.1 100.49 10.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.408 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 125.8 25.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.593 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -102.06 -29.63 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.407 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 m -96.17 148.46 22.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.001 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.22 -12.63 60.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.099 0.476 . . . . 0.0 110.243 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.04 -33.43 74.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.752 172.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 39.7 mt-10 -85.98 173.7 9.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.307 -174.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 52' ' ' LYS . 24.7 tp -129.85 123.71 31.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.816 0.341 . . . . 0.0 111.222 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 14.5 m -79.05 105.45 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 11' ' ' VAL . 16.7 pt -123.16 155.32 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.269 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -106.34 152.89 22.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.205 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.6 t -64.64 114.98 4.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.22 7.43 26.66 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.42 -176.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -86.37 130.84 34.37 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.561 -0.376 . . . . 0.0 110.017 173.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.738 ' HG2' HG13 ' A' ' 10' ' ' ILE . 49.0 mtmt -85.91 126.98 34.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.999 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.91 HG11 HD23 ' A' ' 47' ' ' LEU . 33.5 m -128.07 146.08 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.04 0.448 . . . . 0.0 111.738 -174.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -92.65 121.95 34.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.455 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.9 mt -79.99 112.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -92.52 -76.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.35 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.656 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 3.7 m-20 -82.04 101.98 10.69 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 3.1 p30 -116.02 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.59 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -68.61 -29.6 68.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.134 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -72.29 -23.78 61.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.868 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.521 ' HB3' ' O ' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -150.7 114.84 5.07 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -73.06 -22.17 60.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.387 0.613 . . . . 0.0 110.636 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.602 ' HA ' HD23 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -88.12 -56.43 3.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.969 -175.772 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.521 ' O ' ' HB3' ' A' ' 39' ' ' SER . 50.3 m95 -117.62 125.59 51.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.607 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 43.0 m0 -105.01 146.37 29.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.656 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 4.4 mtm -91.36 105.24 17.63 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.646 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 74.6 m -102.83 141.52 35.5 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.311 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 36.9 tt0 -115.52 119.5 36.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.558 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.91 HD23 HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.41 123.66 17.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.958 -175.663 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.75 -41.55 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.237 0.541 . . . . 0.0 111.245 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.42 -38.16 17.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.14 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.8 m -93.8 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.99 5.97 65.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.47 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.854 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 76.5 mttt -70.73 126.74 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.513 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 85.1 p -125.04 125.14 43.37 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.496 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.69 -178.47 39.26 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.702 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 42' ' ' TRP . 4.4 mm? -84.28 126.02 32.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 111.36 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.55 HG12 HD11 ' A' ' 25' ' ' ILE . 31.6 m -136.34 151.18 72.73 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.804 174.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.71 133.04 37.54 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.514 2.143 . . . . 0.0 112.056 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.82 70.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.951 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -78.71 9.96 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.098 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.411 ' HZ ' ' HB ' ' B' ' 44' ' ' ILE . 3.4 m-30 -105.9 -15.88 14.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 0.0 110.116 176.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.549 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 49.8 mm -95.98 133.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.825 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HB2' ' HG2' ' A' ' 12' ' ' GLN . 1.4 tp10 -104.91 90.48 3.6 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 171.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.626 ' HD2' ' HE2' ' A' ' 68' ' ' LYS . 18.5 Cg_exo -66.71 137.87 47.24 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.434 2.09 . . . . 0.0 111.767 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m -94.35 106.69 18.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.719 0.771 . . . . 0.0 110.702 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -123.44 6.03 8.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.765 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 67.47 100.22 0.05 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.07 -173.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 68.13 77.0 0.25 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.188 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.626 ' HE2' ' HD2' ' A' ' 63' ' ' PRO . 27.4 ttpp -84.28 103.3 13.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.154 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -98.82 132.98 43.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.538 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 t -158.88 -167.49 2.13 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -175.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.412 176.401 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.465 ' CB ' ' HB3' ' B' ' 63' ' ' LYS . 14.2 ptt? . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -89.52 126.33 35.55 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.2 pt -116.12 135.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.08 93.85 5.69 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.778 HG13 ' HB ' ' B' ' 13' ' ' ILE . 2.8 p -93.47 110.91 23.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.435 0.636 . . . . 0.0 110.378 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.6 123.26 31.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.495 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.546 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 52.0 p -74.68 175.22 8.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.704 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 41' ' ' ASP . 4.8 tt -64.43 -20.71 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.472 . . . . 0.0 110.536 -178.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.9 p -85.32 -8.59 58.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.441 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 11.8 58.32 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.236 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -84.8 130.21 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 0.0 110.592 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.1 m -85.1 112.13 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.778 ' HB ' HG13 ' B' ' 5' ' ' VAL . 48.3 mm -99.97 104.85 16.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.792 174.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 27.0 m -79.35 111.52 15.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' B' ' 15' ' ' LEU . 13.3 tp -120.4 120.95 37.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.816 0.341 . . . . 0.0 111.124 -174.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -87.09 102.44 14.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.96 160.82 23.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -174.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.6 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 43.3 mt-10 -82.39 147.2 28.93 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -67.81 -23.74 65.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -102.82 13.12 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.6 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 21.0 t0 -78.14 147.81 34.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.745 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.8 p -78.65 150.36 32.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 40.3 mm -58.86 -33.82 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.234 0.54 . . . . 0.0 109.548 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.78 -42.69 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.868 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.429 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.9 t30 -73.29 -31.61 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.36 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 22' ' ' THR . 86.7 t -66.11 -43.38 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 172.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 92.6 mttt -55.93 -43.84 77.79 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 173.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -69.59 -27.89 65.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.105 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.9 mttp -67.45 -41.06 85.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.074 0.464 . . . . 0.0 110.129 173.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.14 -37.87 77.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.097 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.54 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 11.8 tt0 -68.59 -35.1 76.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.07 0.462 . . . . 0.0 110.397 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.01 -37.39 85.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -83.37 -61.22 1.9 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.81 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -98.54 -30.07 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 49.72 2.5 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.564 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.54 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 59.2 mt -108.32 126.72 28.97 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.4 Cg_exo -59.35 131.44 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.904 2.402 . . . . 0.0 112.576 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 32.5 Cg_exo -61.58 -31.05 86.89 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.165 2.577 . . . . 0.0 112.727 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.444 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 3.6 m-20 -63.84 -34.57 78.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.449 0.642 . . . . 0.0 110.191 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 16.5 tt0 -85.93 -4.19 59.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.631 -174.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.46 ' HG2' HD11 ' B' ' 69' ' ' LEU . 45.0 mt-30 -102.04 116.63 33.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -120.75 115.95 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 166.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.3 mm? -92.23 134.88 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.858 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HZ ' ' A' ' 60' ' ' PHE . 3.9 mp -114.84 125.13 72.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.909 0.385 . . . . 0.0 110.039 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 52.3 t80 -125.23 102.36 7.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.319 176.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.62 34.29 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.76 -8.61 58.15 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -89.88 111.56 22.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.09 112.63 17.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 21.1 mt -92.55 119.9 32.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.73 -172.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -117.5 162.51 17.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.222 0.534 . . . . 0.0 110.443 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.4 161.35 22.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.847 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.05 -37.27 3.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.676 -174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.514 ' HD2' ' OD2' ' B' ' 58' ' ' ASP . 14.5 mmt180 -102.08 171.48 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.765 0.317 . . . . 0.0 110.952 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.745 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 57.8 p -106.82 172.81 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.506 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.5 mt -68.38 -31.78 71.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.289 0.566 . . . . 0.0 110.039 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -69.16 -28.87 66.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.541 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.514 ' OD2' ' HD2' ' B' ' 54' ' ' ARG . 9.2 t70 -62.09 -46.76 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.423 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -85.03 0.14 52.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.169 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.8 m120 62.93 58.04 1.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.547 0.529 . . . . 0.0 110.805 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -95.89 129.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -92.83 -170.59 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.733 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.465 ' HB3' ' CB ' ' B' ' 1' ' ' MET . 18.0 pttm -93.81 154.2 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.28 12.36 8.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.824 0.703 . . . . 0.0 110.51 -175.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 75.8 m -68.83 139.57 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.127 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -97.26 113.44 25.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.494 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -104.71 156.68 17.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.837 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -126.22 129.04 48.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.821 0.343 . . . . 0.0 110.54 174.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 53.4 tp -93.79 105.68 17.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.511 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.9 t -105.14 131.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 175.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.547 ' H ' HD13 ' B' ' 8' ' ' LEU . 18.9 mt -81.04 144.54 31.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.722 0.772 . . . . 0.0 112.542 -169.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 34.8 ttm180 -98.79 104.7 16.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.365 -1.289 . . . . 0.0 107.927 170.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt -55.05 100.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.591 0.557 . . . . 0.0 111.12 -176.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -153.78 162.59 41.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.601 -174.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.14 -86.9 1.49 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.076 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.516 -1.158 . . . . 0.0 111.973 -179.641 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.86 119.94 2.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.706 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -87.79 19.29 3.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.376 177.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.3 tptm 59.61 81.17 0.18 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.751 -172.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t -92.28 174.78 7.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.94 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -89.82 35.5 0.84 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.313 -174.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 94.9 mttt 64.39 133.28 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.145 0 O-C-N 123.892 0.745 . . . . 0.0 111.971 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -110.93 137.39 48.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.958 0.409 . . . . 0.0 110.543 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.63 152.43 21.63 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.904 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -110.95 111.52 36.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 2.6 p -72.89 124.98 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 0.0 111.091 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -86.02 -43.4 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.967 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 77.2 m-85 -102.44 -177.46 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 -176.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -115.83 128.07 55.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 66.3 t80 -127.72 136.28 51.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.643 0.258 . . . . 0.0 110.675 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp -103.41 141.76 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.02 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.55 112.23 24.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.81 -32.77 12.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.201 0.524 . . . . 0.0 109.763 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -86.55 166.46 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.912 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.31 52.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.31 0.576 . . . . 0.0 109.783 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.51 -12.46 42.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.55 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -90.96 163.44 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.551 0.215 . . . . 0.0 110.54 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.671 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 54.8 tp -124.13 145.4 49.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 111.127 -177.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -92.0 116.94 29.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.549 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.4 pt -122.47 145.22 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.781 0.324 . . . . 0.0 111.222 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -107.54 139.47 42.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.535 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 p -59.67 125.2 22.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.045 0.45 . . . . 0.0 111.426 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.98 1.49 63.08 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.671 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.82 152.57 26.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -88.96 120.62 30.54 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.718 HG23 HD13 ' A' ' 61' ' ' ILE . 34.1 m -125.21 149.66 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.992 0.425 . . . . 0.0 111.6 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 47.1 m-85 -89.84 151.43 21.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.236 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.42 ' HB ' ' CB ' ' A' ' 7' ' ' LYS . 56.4 mt -102.05 95.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 93.7 mt -63.8 -52.5 59.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.695 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 15.9 t70 -141.3 139.74 33.7 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.218 0.533 . . . . 0.0 111.384 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.458 ' CG ' ' HZ3' ' A' ' 7' ' ' LYS . 10.7 p30 -134.04 24.23 3.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.84 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -126.69 -39.84 1.96 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 69.8 mmtt -59.03 -40.92 86.49 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.434 0.635 . . . . 0.0 110.18 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 m -146.01 148.14 32.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.364 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -93.27 -25.12 17.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 0.0 110.147 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.871 ' HA ' HD13 ' B' ' 8' ' ' LEU . 5.2 m-20 -78.66 -36.91 43.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.72 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.459 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 70.3 m95 -124.17 126.43 46.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -112.97 158.6 20.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.309 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.547 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -101.97 125.35 48.63 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.505 ' SG ' HD22 ' A' ' 23' ' ' LEU . 27.9 p -123.41 158.08 31.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.801 0.334 . . . . 0.0 110.957 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.518 ' HG3' ' HG ' ' A' ' 53' ' ' SER . 54.3 tt0 -133.19 123.72 26.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.595 HD23 HG13 ' A' ' 31' ' ' VAL . 96.9 mt -66.79 126.02 27.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.5 t -76.02 -23.38 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.516 0.674 . . . . 0.0 109.49 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.06 -57.96 3.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 t -85.68 -45.61 11.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.558 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.2 -16.79 32.27 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.18 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.73 155.33 40.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.74 0.305 . . . . 0.0 110.815 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.518 ' HG ' ' HG3' ' A' ' 46' ' ' GLN . 7.1 m -128.69 162.99 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 -175.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.671 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 172.89 178.14 42.71 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.136 176.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 25.5 tp -92.52 133.14 36.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.894 0.478 . . . . 0.0 110.639 -177.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.502 HG13 HD13 ' A' ' 25' ' ' ILE . 29.6 m -141.11 159.62 60.94 Favored Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.49 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HB3' HG22 ' B' ' 70' ' ' VAL . 24.3 Cg_exo -64.89 145.34 85.64 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.814 2.343 . . . . 0.0 112.196 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.552 ' HB1' HD12 ' B' ' 8' ' ' LEU . . . -62.66 -36.13 81.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.444 HE22 HG21 ' B' ' 70' ' ' VAL . 20.4 mp0 -62.66 -18.84 63.09 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.026 0.441 . . . . 0.0 111.112 -178.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.601 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 3.6 m-85 -79.83 -27.5 40.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.875 -176.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.718 HD13 HG23 ' A' ' 31' ' ' VAL . 45.0 mm -106.61 107.73 23.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.779 0.323 . . . . 0.0 111.02 -176.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -93.11 103.71 10.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 173.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.12 116.1 3.26 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.486 2.124 . . . . 0.0 112.346 -176.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.5 p -97.34 92.7 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 122.293 1.044 . . . . 0.0 110.083 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 12.2 ptm180 -164.0 -50.38 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.06 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.554 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 5.9 m-20 -148.66 -172.73 4.16 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -79.62 123.87 28.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 171.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -64.76 118.38 8.88 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.36 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -86.11 33.21 0.61 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.662 -172.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -148.81 124.68 10.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.654 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--O 1.245 0.841 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.752 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.488 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 21.5 ptt? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.571 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.6 mt-30 -76.3 131.86 39.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 170.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.494 ' HB ' HD21 ' B' ' 67' ' ' LEU . 36.9 pt -121.11 145.84 27.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -95.42 95.48 8.47 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.59 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.1 t -79.6 93.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' B' ' 7' ' ' THR . 12.3 tmtt? -98.84 105.13 17.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.235 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.579 HG23 HD22 ' B' ' 69' ' ' LEU . 70.1 p -66.8 165.91 14.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.598 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.871 HD13 ' HA ' ' A' ' 41' ' ' ASP . 8.4 tt -57.53 -53.25 60.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.2 p -68.91 -45.79 70.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.17 58.59 0.01 OUTLIER Glycine 0 C--O 1.228 -0.228 0 C-N-CA 119.19 -1.481 . . . . 0.0 114.47 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.4 mttp -121.75 114.78 21.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 169.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -96.8 93.43 6.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.126 0.488 . . . . 0.0 109.803 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.59 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 40.6 mt -94.21 107.58 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.783 -175.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -74.35 111.72 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.45 131.48 56.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.689 -176.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -89.56 106.71 18.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -134.86 155.37 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.386 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 43.0 mt-10 -93.95 172.14 8.42 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.4 -26.06 62.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -86.77 1.89 50.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.917 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -71.01 143.32 50.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.53 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 75.0 p -90.08 152.73 21.01 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.636 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 43.3 mm -60.16 -30.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -62.43 -48.03 81.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.939 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.14 -40.97 95.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.588 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 22' ' ' THR . 22.6 t -63.16 -41.57 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.125 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 90.3 mttt -57.73 -43.71 85.52 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -63.66 -39.53 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.761 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 96.9 mttt -64.51 -40.4 95.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.509 HD11 HG11 ' B' ' 5' ' ' VAL . 73.5 mt -71.81 -31.39 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.231 0.539 . . . . 0.0 110.281 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.494 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.8 tt0 -64.23 -31.74 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.05 175.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.67 -38.36 58.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 74.9 mmtt -68.05 -69.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.941 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -103.05 -12.3 17.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.608 -173.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.494 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.77 26.92 36.45 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.713 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.6 mt -87.62 126.99 60.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.661 -0.317 . . . . 0.0 110.195 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 32.0 Cg_exo -59.98 131.94 42.1 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.114 2.543 . . . . 0.0 112.687 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.461 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 32.9 Cg_exo -61.53 -34.82 84.62 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.349 2.699 . . . . 0.0 113.004 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 -31.48 68.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.229 0.537 . . . . 0.0 110.85 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.415 ' NE2' HD21 ' B' ' 71' ' ' LEU . 26.3 tt0 -79.57 -28.22 41.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -71.84 124.32 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -131.7 107.92 9.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.858 171.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.5 mp -88.46 145.19 25.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.32 -176.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.44 HG21 ' HZ ' ' A' ' 60' ' ' PHE . 74.1 mt -130.31 123.09 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.755 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -113.88 95.68 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.394 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.96 44.88 25.51 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.967 0.413 . . . . 0.0 112.071 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.24 -19.06 55.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.46 112.7 13.26 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.84 113.59 11.17 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 60.2 mt -94.02 90.79 6.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.451 . . . . 0.0 110.991 -176.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -84.17 149.57 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.721 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.636 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.5 p30 -69.65 168.82 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.47 -62.83 0.62 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.585 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -76.17 172.32 13.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.642 0.258 . . . . 0.0 110.805 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.8 p -97.01 171.0 8.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.491 HD13 HG21 ' B' ' 26' ' ' VAL . 7.5 mp -68.36 -26.15 65.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.096 0.474 . . . . 0.0 109.915 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -67.07 -35.92 80.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.209 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.56 -20.58 65.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.055 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -112.13 5.88 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.11 40.44 11.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.677 173.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -77.81 133.47 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -92.62 172.52 8.31 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.567 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.488 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 22.7 mmtm -71.9 144.57 48.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.201 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 57.91 32.55 22.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.516 0.674 . . . . 0.0 111.129 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -81.96 159.95 23.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -104.6 111.01 23.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.289 0.566 . . . . 0.0 111.008 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.494 HD21 ' HB ' ' B' ' 3' ' ' ILE . 2.9 mm? -96.32 115.41 27.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.497 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 89.5 m-70 -82.1 111.6 18.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.579 HD22 HG23 ' B' ' 7' ' ' THR . 54.8 tp -89.03 112.24 23.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.444 HG21 HE22 ' A' ' 59' ' ' GLN . 44.8 t -104.34 133.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.391 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.415 HD21 ' NE2' ' B' ' 40' ' ' GLN . 7.5 mp -89.48 133.85 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.963 0.411 . . . . 0.0 111.066 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -75.2 -23.66 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.368 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.2 mt 61.54 31.44 18.88 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.328 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 71.45 -69.18 0.19 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.733 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.5 -56.63 5.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.798 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.911 -0.939 . . . . 0.0 111.195 177.74 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -88.33 132.22 34.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.362 0.601 . . . . 0.0 112.201 -169.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -133.59 164.05 24.36 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.012 175.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -119.48 130.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 117.067 0.434 . . . . 0.0 109.943 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.655 HG21 ' HB ' ' A' ' 25' ' ' ILE . 1.9 p -81.69 121.64 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -93.49 -41.36 9.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -96.47 133.0 41.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.269 0.557 . . . . 0.0 111.782 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.634 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 14.4 t70 -80.42 97.36 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.827 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.492 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 90.2 t80 -113.33 118.09 33.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.324 -173.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.571 ' HA ' HG23 ' A' ' 24' ' ' THR . 26.5 mmt -90.13 121.23 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.869 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -93.89 131.95 38.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.46 -28.51 16.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.614 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -97.7 151.15 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.089 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.69 -27.0 63.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.244 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.92 -17.96 61.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.306 0.574 . . . . 0.0 110.142 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.654 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 51.4 mt-10 -95.42 151.58 19.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB3' HG13 ' A' ' 56' ' ' VAL . 57.9 tp -106.03 123.28 47.74 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.615 -177.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.571 HG23 ' HA ' ' A' ' 16' ' ' MET . 91.3 m -74.43 108.5 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 173.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.655 ' HB ' HG21 ' A' ' 11' ' ' VAL . 22.4 pt -109.92 115.18 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.41 0.624 . . . . 0.0 111.023 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -85.24 129.37 34.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.762 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.443 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 43.0 t -57.98 120.9 9.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.251 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.67 -6.65 35.79 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.566 -0.825 . . . . 0.0 113.329 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.55 -169.24 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.291 0.546 . . . . 0.0 110.336 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 48' ' ' VAL . 44.2 mmtm -117.65 139.35 51.13 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.16 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.757 HG21 HD12 ' A' ' 61' ' ' ILE . 23.5 m -131.59 147.69 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 110.864 177.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.6 ' CE2' HG22 ' A' ' 48' ' ' VAL . 46.4 m-85 -100.59 130.53 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.972 174.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -82.6 106.28 13.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.648 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -78.04 -64.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.616 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.664 ' H ' ' HB2' ' A' ' 44' ' ' MET . 6.0 t0 -130.38 136.43 49.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.727 175.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -134.75 9.22 3.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.497 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.63 -13.27 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.444 -176.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -62.85 -41.83 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 109.326 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -138.21 158.81 43.56 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.122 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -95.65 -42.53 8.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.533 ' HA ' HD22 ' B' ' 8' ' ' LEU . 5.1 m-20 -77.93 -49.72 13.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.965 0.412 . . . . 0.0 111.436 -175.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -111.1 132.81 53.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.389 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -113.57 164.55 13.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.664 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 70.3 mmm -95.31 110.85 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.574 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.414 ' SG ' HG13 ' A' ' 61' ' ' ILE . 98.1 m -121.56 152.33 39.35 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -127.69 125.27 39.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.834 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 31' ' ' VAL . 68.2 mt -63.84 125.44 24.39 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.6 HG22 ' CE2' ' A' ' 32' ' ' TYR . 77.8 t -58.0 -44.14 86.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.796 -176.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -87.8 -49.86 6.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.407 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.31 -30.2 67.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.525 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.21 88.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.695 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -82.49 132.41 35.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -112.53 148.9 33.52 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.83 -178.5 48.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.848 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.23 134.52 33.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 23' ' ' LEU . 26.7 m -139.5 156.65 71.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.971 175.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HB3' HG21 ' B' ' 70' ' ' VAL . 29.7 Cg_exo -62.95 133.55 42.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.545 2.163 . . . . 0.0 112.172 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.34 -48.7 65.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.643 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 5.3 pt20 -84.26 20.71 1.56 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -104.58 -13.11 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.757 HD12 HG21 ' A' ' 31' ' ' VAL . 51.0 mm -115.25 124.36 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.261 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 39.0 tt0 -116.41 114.75 40.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.526 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 37.7 Cg_exo -59.9 135.56 64.0 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 -177.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.237 0.447 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.094 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.469 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 19.7 ptt? . . . . . 0 CA--C 1.5 -0.953 0 CA-C-O 121.761 0.791 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 77.0 mt-30 -119.06 122.14 41.44 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.623 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.2 pt -117.35 140.51 39.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.687 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.38 93.79 9.66 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.723 HG13 HG13 ' B' ' 13' ' ' ILE . 2.7 p -87.77 106.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.171 0.986 . . . . 0.0 109.681 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 48.7 tttp -98.39 108.19 20.83 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.238 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.618 HG22 HD23 ' B' ' 69' ' ' LEU . 39.1 p -67.85 155.84 38.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.643 ' HA ' ' NE2' ' A' ' 59' ' ' GLN . 6.4 tt -65.66 -22.86 66.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.023 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -74.9 -11.43 60.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 111.575 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.26 5.07 43.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.769 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.423 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 21.5 tptp -85.85 93.5 8.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 4.0 m -88.55 107.43 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.098 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.723 HG13 HG13 ' B' ' 5' ' ' VAL . 12.6 pt -113.89 142.87 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.053 0.454 . . . . 0.0 111.349 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -91.44 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.901 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.767 HD12 HG12 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -101.45 125.56 48.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -173.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' B' ' 1' ' ' MET . 13.0 tp10 -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.699 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.767 HG12 HD12 ' B' ' 15' ' ' LEU . 0.5 OUTLIER -143.8 155.22 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.635 -176.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.67 145.79 32.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.649 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -59.28 -23.46 62.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -103.78 11.14 36.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.543 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.442 ' HB2' HG23 ' B' ' 17' ' ' VAL . 2.4 m-20 -75.01 146.62 41.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.657 0.265 . . . . 0.0 110.494 177.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 36.4 p -77.96 154.22 31.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.094 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' B' ' 50' ' ' LEU . 49.5 mm -61.22 -30.74 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.28 -51.05 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.608 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.6 t30 -68.91 -32.97 72.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.547 ' HA ' ' HD2' ' B' ' 29' ' ' LYS . 73.3 t -59.46 -44.18 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.332 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 99.1 mttt -63.35 -36.05 82.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.838 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -62.11 -41.03 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.978 0.418 . . . . 0.0 110.357 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.573 ' HE3' ' HB ' ' B' ' 17' ' ' VAL . 53.0 mttm -63.64 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.406 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.68 -33.81 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.054 0.454 . . . . 0.0 110.381 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.462 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 63.9 tt0 -66.96 -26.51 66.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.18 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.89 -42.67 23.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.205 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' B' ' 33' ' ' LYS . 14.6 tppt? -65.81 -66.96 0.48 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -102.48 -31.69 10.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.095 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.94 65.5 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.392 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.452 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 32.4 mt -123.61 133.46 24.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 10.3 Cg_endo -55.71 124.63 16.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.96 2.44 . . . . 0.0 112.611 176.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.9 Cg_exo -55.51 -42.76 64.75 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.616 2.877 . . . . 0.0 113.957 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.02 -36.82 80.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.337 0.589 . . . . 0.0 110.603 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -72.24 -19.99 61.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.265 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.484 ' HB3' HD11 ' B' ' 69' ' ' LEU . 48.9 mt-30 -90.01 119.47 30.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.977 -174.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 79.8 mtt180 -115.26 108.49 16.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.046 172.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.553 ' HG ' HD13 ' B' ' 69' ' ' LEU . 6.0 mp -86.71 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.85 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.0 mt -119.08 119.79 61.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -118.82 116.79 27.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.219 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 20.06 10.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.957 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.634 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 97.94 -2.13 59.85 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -97.16 118.21 33.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.386 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.504 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 28.3 tt0 -77.77 127.65 32.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.494 ' HB3' HG13 ' B' ' 23' ' ' ILE . 26.0 mt -90.49 130.49 36.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.884 -172.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -83.24 149.54 26.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.79 -43.79 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.565 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.58 -0.6 80.2 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 121.093 -0.575 . . . . 0.0 114.062 -172.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.414 ' HD2' ' CZ ' ' B' ' 59' ' ' TYR . 64.4 mtt180 -105.95 159.72 15.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.208 0.504 . . . . 0.0 110.279 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.0 p -97.78 178.26 5.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.81 -27.39 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.037 0.446 . . . . 0.0 110.189 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -77.3 -31.56 54.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.049 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.98 -27.47 69.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.356 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.414 ' CZ ' ' HD2' ' B' ' 54' ' ' ARG . 94.3 m-85 -107.32 4.22 26.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.783 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 t30 56.04 68.26 0.89 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.626 0.726 . . . . 0.0 110.901 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -111.78 112.5 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.286 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -78.44 159.56 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.945 0.403 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.469 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 9.5 ptpp? -68.39 161.45 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 59.53 32.49 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.459 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -102.61 165.35 11.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.873 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -107.42 110.28 22.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.108 0.48 . . . . 0.0 110.884 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.76 138.9 37.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.648 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -96.05 123.83 39.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.618 HD23 HG22 ' B' ' 7' ' ' THR . 37.2 tp -102.92 101.62 11.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.219 0.533 . . . . 0.0 110.332 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.525 HG21 ' HB3' ' A' ' 57' ' ' PRO . 46.4 t -98.67 127.05 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.587 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.42 151.86 22.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -71.64 176.11 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.918 174.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 121.542 0.687 . . . . 0.0 109.601 175.596 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 52.0 mttp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.664 0.269 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.43 150.07 26.27 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 153.3 24.49 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.606 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.611 HG12 HG22 ' A' ' 64' ' ' VAL . 42.6 mm -109.59 129.59 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 p -84.89 114.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.154 0.502 . . . . 0.0 110.163 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -84.87 -45.9 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.055 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.551 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 80.2 m-85 -109.28 135.09 50.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.304 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.97 149.7 49.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.075 -176.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' HB3' HG12 ' A' ' 25' ' ' ILE . 64.3 t80 -139.47 118.38 12.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.664 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.705 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.3 ptp -101.4 131.14 47.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.066 0.46 . . . . 0.0 109.989 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -97.96 146.06 25.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.284 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -103.58 -25.36 13.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -109.17 144.9 36.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -74.01 -8.54 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.417 0.627 . . . . 0.0 110.21 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.89 -26.96 64.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.412 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 44.0 mt-10 -95.51 148.72 22.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.003 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 44.4 tp -103.23 111.18 23.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 111.128 -173.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.705 HG23 ' HA ' ' A' ' 16' ' ' MET . 29.5 m -68.04 111.52 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.457 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.6 pt -120.75 146.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.25 -175.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HB2' ' NZ ' ' A' ' 26' ' ' LYS . 8.9 mtmp? -114.01 145.88 40.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 p -59.82 121.98 13.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.29 -14.88 27.94 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.666 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -70.44 153.84 42.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.293 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.744 ' HB2' ' HB ' ' A' ' 48' ' ' VAL . 41.8 mmtm -100.81 130.14 46.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.43 HG12 HD23 ' A' ' 47' ' ' LEU . 23.2 m -131.25 148.43 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.201 0.524 . . . . 0.0 112.141 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD2' HG22 ' A' ' 48' ' ' VAL . 7.4 m-85 -98.49 128.1 44.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.43 170.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 51.2 mt -83.34 95.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 84.0 mt -66.2 -58.68 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.836 -176.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.7 m-20 -126.01 99.84 6.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.743 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.415 ' HB3' HG21 ' A' ' 33' ' ' ILE . 7.7 p-10 -91.22 -13.06 33.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.974 174.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.99 9.54 42.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.836 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 23.7 ttpp -78.2 -49.21 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.473 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' TRP . 21.5 m -145.85 178.44 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -175.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.29 -38.93 14.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.01 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HB3' HD21 ' B' ' 8' ' ' LEU . 2.6 p30 -108.69 -36.13 6.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.798 -172.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.443 ' HB2' HD11 ' B' ' 73' ' ' LEU . 83.1 m95 -110.82 122.55 48.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -113.33 166.81 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.516 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 82.6 mmm -96.06 126.0 40.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 64.7 m -131.14 146.03 52.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.218 0.532 . . . . 0.0 111.495 177.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.404 ' HB2' HD11 ' A' ' 34' ' ' LEU . 59.2 tt0 -121.65 129.2 52.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.619 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' HG ' HD21 ' A' ' 23' ' ' LEU . 93.9 mt -63.58 120.86 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.529 0.204 . . . . 0.0 111.009 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.744 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 81.0 t -67.03 -31.06 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 0.0 109.951 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.16 3.19 31.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.774 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.5 t -149.93 -62.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.98 -13.26 9.14 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.737 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.52 139.94 57.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -121.32 161.32 22.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.556 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 179.99 177.7 48.15 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.223 -0.989 . . . . 0.0 112.815 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.47 131.85 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.64 0.257 . . . . 0.0 110.794 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.432 HG21 ' SG ' ' A' ' 45' ' ' CYS . 34.9 m -136.89 151.5 72.4 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.54 128.02 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.921 2.414 . . . . 0.0 111.962 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.44 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.443 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.761 ' HB3' ' HB3' ' B' ' 8' ' ' LEU . 7.0 pt20 -66.01 -8.38 22.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.12 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 13' ' ' TYR . 22.1 m-30 -113.63 -4.32 13.48 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.982 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -117.54 132.26 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -127.29 119.36 21.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.96 134.03 57.61 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.898 2.399 . . . . 0.0 112.634 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.611 HG22 HG12 ' A' ' 10' ' ' ILE . 48.6 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.209 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.484 ' HG3' ' HA ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.069 0.461 . . . . 0.0 110.654 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 77.0 mt-30 -83.65 142.13 31.01 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 177.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.414 HG23 ' SD ' ' B' ' 1' ' ' MET . 26.8 pt -123.66 139.71 49.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 167.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' B' ' 66' ' ' THR . 87.3 m-85 -96.93 106.59 18.95 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.883 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' B' ' 12' ' ' THR . 59.9 t -85.71 101.27 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.618 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -107.71 119.81 40.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p -79.86 167.97 19.86 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.761 ' HB3' ' HB3' ' A' ' 59' ' ' GLN . 1.8 pp -75.78 -5.64 46.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.901 0.382 . . . . 0.0 111.333 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 p -89.36 -40.13 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.384 . . . . 0.0 110.315 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.18 -15.55 1.7 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.817 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.29 107.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.706 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 4.6 m -119.85 105.16 10.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.248 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.425 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.4 pt -106.77 138.41 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.928 0.394 . . . . 0.0 111.232 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -86.57 118.66 26.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.391 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' B' ' 15' ' ' LEU . 15.1 tp -116.65 119.29 35.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.698 0.285 . . . . 0.0 111.131 -177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 tp10 -79.49 101.25 8.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.235 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.17 -157.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 5.6 tp10 -151.94 153.13 33.49 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.144 174.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.643 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 6.8 p -65.48 -24.25 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.38 13.85 12.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -101.26 171.08 7.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 38.8 p -102.4 148.08 25.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.67 0.271 . . . . 0.0 111.186 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -34.78 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.04 -45.53 86.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.161 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.56 -36.96 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 88.7 t -60.89 -42.21 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.404 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 93.0 mttt -54.73 -44.93 73.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.442 . . . . 0.0 110.807 176.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -64.37 -36.41 84.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.7 mtpp -69.82 -29.34 66.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.233 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.3 mt -72.77 -38.84 58.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.411 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 38.2 tt0 -62.21 -35.84 80.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.523 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 27.9 t70 -58.79 -28.92 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.942 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -80.69 -67.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.739 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.02 17.01 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.31 43.14 98.86 Favored Glycine 0 C--N 1.324 -0.13 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.137 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.411 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 23.7 mt -94.45 119.68 66.09 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.51 124.77 17.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.124 2.549 . . . . 0.0 112.882 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.404 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.6 Cg_exo -52.13 -39.33 71.07 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.609 2.873 . . . . 0.0 113.433 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.42 -17.14 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 111.176 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 32.1 tt0 -95.5 -5.25 43.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.601 -176.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -103.28 139.1 39.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -175.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' B' ' 49' ' ' GLN . 15.8 tpp180 -129.02 103.81 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.514 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.44 132.61 34.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.282 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.61 122.83 68.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.998 0.427 . . . . 0.0 110.749 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 88.6 t80 -122.22 116.61 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.203 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 22.95 13.72 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.357 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.478 ' O ' ' HG2' ' A' ' 16' ' ' MET . . . 95.19 -3.81 66.91 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.143 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.586 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.7 ttmm -96.39 125.32 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.789 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.457 ' HB3' ' HD2' ' B' ' 42' ' ' ARG . 45.5 mt-30 -79.25 138.2 37.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.083 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.6 mt -97.82 125.95 42.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.08 166.02 11.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.63 168.99 19.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.068 0.461 . . . . 0.0 111.413 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.96 -47.45 2.94 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.093 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.419 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 9.0 mmm180 -78.55 163.95 25.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 31.9 p -96.03 168.08 10.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.643 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 3.4 mm? -63.59 -40.2 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.588 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.6 m -62.93 -27.47 69.4 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.521 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.52 -34.85 77.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.586 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 94.7 m-85 -91.34 10.61 26.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.147 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 66.52 27.04 9.82 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.82 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.427 HD12 HD12 ' B' ' 56' ' ' LEU . 59.0 mt -79.15 138.81 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.902 0.382 . . . . 0.0 110.225 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -104.93 -175.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.664 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.437 ' HG2' ' HG2' ' B' ' 1' ' ' MET . 67.8 mttm -84.84 138.78 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.289 175.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 34.3 mt-10 68.7 25.02 6.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.293 0.568 . . . . 0.0 110.702 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.456 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 13.8 p -86.52 163.14 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.451 HG23 ' HB2' ' B' ' 4' ' ' PHE . 29.0 m -111.1 133.01 53.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.056 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.93 150.23 40.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.327 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -92.63 127.98 38.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.254 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.74 106.87 17.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.203 0.525 . . . . 0.0 110.404 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.84 153.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.32 153.0 17.89 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.544 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.406 ' CG ' ' HB2' ' B' ' 42' ' ' ARG . 40.8 mtm180 -88.21 119.51 28.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.292 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 42' ' ' TRP . 83.9 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.308 0.575 . . . . 0.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HG3' ' HB ' ' A' ' 33' ' ' ILE . 9.3 ptmt . . . . . 0 C--O 1.225 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -91.42 142.54 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.05 144.48 15.05 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.055 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.744 HG12 ' HG2' ' A' ' 30' ' ' LYS . 50.8 mt -110.81 113.24 43.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.406 HG21 ' HB ' ' A' ' 25' ' ' ILE . 1.4 p -68.32 122.47 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.116 0.484 . . . . 0.0 110.344 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.67 -30.57 17.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.038 -173.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.617 ' HB2' ' HD1' ' A' ' 60' ' ' PHE . 70.6 m-85 -127.97 151.69 48.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 -174.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.75 144.7 43.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.04 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.592 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 59.7 t80 -146.22 118.73 8.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.752 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.523 ' HA ' HG23 ' A' ' 24' ' ' THR . 86.8 mtp -85.32 145.9 27.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.757 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.681 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -115.23 149.27 38.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -102.67 -25.87 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.725 0.297 . . . . 0.0 111.003 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 t -129.26 169.28 15.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.548 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -75.23 -15.07 60.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.25 -35.31 79.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.538 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.681 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 36.3 mt-10 -92.41 175.65 6.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.083 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' HG ' ' A' ' 47' ' ' LEU . 66.3 tp -132.09 125.33 31.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.128 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.523 HG23 ' HA ' ' A' ' 16' ' ' MET . 21.8 m -76.88 103.56 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.592 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.0 pt -100.47 147.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.161 -175.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -104.88 138.7 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.763 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -65.16 106.13 1.24 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.82 5.4 27.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.014 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -94.9 173.67 7.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.744 ' HG2' HG12 ' A' ' 10' ' ' ILE . 36.0 mtmm -120.95 140.41 51.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.569 HG12 HD23 ' A' ' 47' ' ' LEU . 35.7 m -132.23 153.21 37.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.82 -178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.441 ' CE2' HG22 ' A' ' 48' ' ' VAL . 46.7 m-85 -97.34 128.54 44.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.669 ' HB ' ' HG3' ' A' ' 7' ' ' LYS . 64.5 mt -85.32 105.57 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 3.5 mm? -66.27 -54.8 20.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.103 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -140.64 135.3 31.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.25 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -105.16 -22.62 13.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.394 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -120.2 3.39 10.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.179 -168.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -61.23 -45.32 95.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.253 0.549 . . . . 0.0 109.911 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 35.0 m -106.3 -89.88 0.43 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.465 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 39' ' ' SER . 76.4 tttt 165.17 -55.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.863 0.727 . . . . 0.0 109.541 175.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.1 -46.63 8.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.767 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -93.73 131.99 38.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.091 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -116.01 164.89 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.577 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 42.7 mtp -99.61 126.43 45.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.444 ' SG ' HG12 ' A' ' 33' ' ' ILE . 84.8 m -138.98 161.48 37.26 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.198 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 42.3 tt0 -132.4 129.13 38.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.154 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 31' ' ' VAL . 95.4 mt -66.95 124.12 22.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.441 HG22 ' CE2' ' A' ' 32' ' ' TYR . 57.7 t -59.15 -50.25 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.364 0.415 . . . . 0.0 111.441 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -82.98 -51.89 7.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -64.85 -28.4 69.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.638 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.18 66.14 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.561 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -116.72 125.29 51.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.627 0.251 . . . . 0.0 110.662 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 18.9 t -109.0 148.41 30.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.246 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.25 -175.57 41.96 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.67 131.59 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 35.9 m -131.15 153.56 81.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 8.4 Cg_exo -73.55 126.53 10.96 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.87 2.38 . . . . 0.0 111.593 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.524 ' HB3' HD21 ' B' ' 8' ' ' LEU . . . -55.61 -27.59 50.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.571 HE22 ' HB3' ' B' ' 68' ' ' HIS . 7.6 pt20 -63.76 -12.1 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.617 ' HD1' ' HB2' ' A' ' 13' ' ' TYR . 44.4 m-85 -104.34 -7.3 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.704 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 33' ' ' ILE . 46.5 mm -105.43 130.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 111.688 -174.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -105.09 107.29 58.52 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.183 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.47 115.13 2.29 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.69 2.26 . . . . 0.0 112.167 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.983 0.896 . . . . 0.0 110.233 -175.624 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.808 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 22.8 ptt? . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.155 0.502 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.38 127.91 34.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.439 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.43 HD12 HD12 ' B' ' 67' ' ' LEU . 35.9 pt -116.51 138.13 48.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.97 96.21 7.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.214 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.761 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.5 t -80.57 97.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.851 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.0 mttm -98.72 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.122 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.509 HG22 HD23 ' B' ' 69' ' ' LEU . 70.9 p -71.49 168.55 17.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.511 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.646 HD12 HG23 ' B' ' 70' ' ' VAL . 8.4 tt -61.13 -30.22 70.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.5 p -77.12 -7.69 56.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.2 27.03 22.06 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.263 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 14.0 mmmm -94.42 135.65 35.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -103.35 106.69 17.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.869 0.366 . . . . 0.0 110.792 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.761 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 67.8 mt -100.36 109.16 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.222 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -87.94 112.59 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.93 134.38 55.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -175.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -94.76 102.78 14.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.51 156.93 42.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.803 0.335 . . . . 0.0 110.689 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.39 158.46 15.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.786 0.327 . . . . 0.0 110.549 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 4.4 p -71.8 -20.78 61.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.302 176.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -76.35 -10.78 59.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.029 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -88.92 160.25 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 40.5 p -93.41 156.47 16.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.793 0.33 . . . . 0.0 111.262 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.527 HG22 ' HE3' ' B' ' 27' ' ' LYS . 49.0 mm -60.37 -37.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.594 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.98 -47.52 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.149 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.578 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 22.8 t30 -74.77 -34.02 62.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -174.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.673 HG21 HD11 ' B' ' 56' ' ' LEU . 74.5 t -64.77 -41.33 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 110.223 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.527 ' HE3' HG22 ' B' ' 23' ' ' ILE . 97.5 mttt -60.88 -40.16 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -74.47 -21.01 59.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 69.0 mttm -66.97 -43.36 83.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.165 0.507 . . . . 0.0 109.65 170.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.81 -32.03 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.059 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 21.5 tm0? -65.47 -32.58 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.642 175.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.44 -34.1 69.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -77.98 -72.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.287 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.44 -23.92 20.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 111.639 -174.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.92 40.9 6.08 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.128 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -103.25 121.8 47.46 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.8 Cg_exo -55.81 131.84 48.45 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.008 2.472 . . . . 0.0 112.29 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.9 Cg_exo -57.56 -39.14 90.79 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.141 2.561 . . . . 0.0 112.756 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.582 . . . . 0.0 110.366 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -78.49 -13.71 59.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.695 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.24 121.01 33.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -121.11 108.1 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.2 mt -83.15 136.29 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 61.7 mt -117.45 117.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.484 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -112.87 99.29 7.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.234 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 25.47 11.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.483 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.69 -26.57 9.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.103 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 28.8 mtpp -71.83 134.73 46.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 111.053 -177.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -89.83 114.27 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.957 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.1 mp -86.35 104.76 16.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -91.43 170.1 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.374 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.24 169.79 16.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.624 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.18 -24.55 31.81 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.815 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.413 ' HD2' ' CG ' ' B' ' 58' ' ' ASP . 38.3 mmt180 -108.7 169.7 8.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.083 0.468 . . . . 0.0 111.877 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.1 p -95.7 178.5 5.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.493 175.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.673 HD11 HG21 ' B' ' 26' ' ' VAL . 6.6 mp -76.04 -23.17 55.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 110.052 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.2 t -68.92 -35.55 76.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.03 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 31.2 m-20 -62.5 -35.35 79.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.441 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -89.78 6.08 43.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m120 62.34 33.05 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.647 0.592 . . . . 0.0 111.066 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.507 HD11 HD21 ' B' ' 50' ' ' LEU . 69.8 mt -72.98 135.85 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -114.59 -178.68 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.808 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 37.8 mtmm -71.04 140.55 50.79 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.804 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 63.74 33.29 13.06 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.891 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -76.9 146.14 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.279 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -95.37 106.6 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.71 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.43 HD12 HD12 ' B' ' 3' ' ' ILE . 95.3 mt -103.72 119.33 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.571 ' HB3' HE22 ' A' ' 59' ' ' GLN . 40.7 m-70 -89.87 126.44 35.71 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.672 178.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.509 HD23 HG22 ' B' ' 7' ' ' THR . 53.1 tp -96.73 103.61 15.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.646 HG23 HD12 ' B' ' 8' ' ' LEU . 4.8 p -98.16 136.43 29.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.26 140.67 29.24 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.243 0.544 . . . . 0.0 111.674 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -77.39 127.42 32.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 173.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -174.196 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 47.3 mtpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.052 0.453 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -127.91 149.17 50.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.119 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.8 166.24 34.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.192 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.55 HG12 ' HD2' ' A' ' 30' ' ' LYS . 62.4 mt -131.1 130.07 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.454 HG21 HD12 ' A' ' 25' ' ' ILE . 7.7 p -80.34 129.82 36.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.329 0.585 . . . . 0.0 110.699 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -95.74 -16.2 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.896 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 11' ' ' VAL . 96.8 m-85 -122.75 -174.91 3.03 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -102.26 163.67 12.11 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.472 ' HB3' HG12 ' A' ' 25' ' ' ILE . 61.8 t80 -156.05 116.01 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.022 0.439 . . . . 0.0 110.804 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mmm -94.39 120.2 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.979 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -94.54 157.07 16.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -130.87 -33.97 1.53 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.104 0.478 . . . . 0.0 109.944 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.6 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 12.3 t -84.42 152.32 24.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.592 -174.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.84 -20.61 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.596 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.641 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 55.4 mt-10 -81.53 170.98 15.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.126 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 45.5 tp -135.97 116.49 13.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.612 0.244 . . . . 0.0 110.809 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.8 m -71.93 113.85 9.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.529 177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' A' ' 15' ' ' PHE . 24.1 pt -123.49 153.32 29.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.263 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -118.28 157.32 27.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.209 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.21 112.94 1.71 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.72 0.13 29.0 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.227 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.96 145.05 54.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 111.061 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.55 ' HD2' HG12 ' A' ' 10' ' ' ILE . 13.5 tptp -96.04 118.26 32.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.337 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.48 153.48 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 112.485 -174.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 25.5 m-85 -97.63 132.88 42.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.668 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.3 mt -87.15 96.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 56.5 mt -71.94 -59.62 2.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.297 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -137.69 124.12 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.265 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 6.4 p-10 -121.02 25.64 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.583 0.706 . . . . 0.0 109.482 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -117.24 -29.15 5.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.391 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -37.71 81.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 111.026 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 169.01 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 40' ' ' LYS . 16.2 tptp -109.04 3.39 22.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.761 0.791 . . . . 0.0 109.667 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.66 ' HB3' HD11 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -120.71 -63.44 1.35 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.074 -173.393 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.487 ' HB3' ' HG ' ' A' ' 55' ' ' LEU . 80.6 m95 -98.61 123.53 42.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 36' ' ' ASP . 40.9 m0 -115.47 162.1 17.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.289 -176.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.569 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 69.7 mmm -92.31 106.57 18.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.733 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 87.1 m -115.96 141.08 48.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.096 0.474 . . . . 0.0 110.296 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -119.49 129.1 54.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.531 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' HG ' HD21 ' A' ' 23' ' ' LEU . 88.4 mt -64.64 116.84 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 32' ' ' TYR . 89.1 t -53.23 -55.12 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.76 -18.52 58.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.863 0.363 . . . . 0.0 111.905 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -102.9 -30.41 10.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.92 -172.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.04 -11.11 65.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -73.99 121.22 20.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.1 m -102.41 143.62 31.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.516 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.695 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -155.45 177.83 32.41 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.769 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 42' ' ' TRP . 20.1 tp -97.46 122.35 40.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -177.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.1 158.89 74.3 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.623 0.249 . . . . 0.0 111.146 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.85 129.8 13.83 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.997 2.465 . . . . 0.0 112.48 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.09 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.611 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -75.88 12.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.28 -6.28 4.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.06 128.48 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.622 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -108.44 104.21 53.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.27 147.88 83.93 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.963 2.442 . . . . 0.0 112.268 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.033 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' B' ' 18' ' ' GLU . 6.3 ptm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.365 0.602 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 78.0 mt-30 -93.97 128.35 40.25 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.909 177.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.464 HD12 HD12 ' B' ' 67' ' ' LEU . 27.5 pt -117.55 142.61 30.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.025 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -96.72 93.84 6.95 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.31 119.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.667 0.746 . . . . 0.0 110.568 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -103.34 114.66 29.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.736 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.606 HG22 HD23 ' B' ' 69' ' ' LEU . 80.9 p -74.1 178.14 5.24 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 41' ' ' ASP . 3.5 tt -50.48 -52.22 40.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.396 176.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -26.24 65.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.854 -173.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.12 -6.4 12.03 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.462 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.416 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.0 tptm -58.65 114.49 2.52 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.208 -0.496 . . . . 0.0 110.08 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.8 m -97.97 118.32 34.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.966 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.65 122.09 68.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.2 m -80.23 110.91 16.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.57 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.16 129.49 55.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 -172.824 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.76 107.49 18.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.163 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.57 HG13 HD12 ' B' ' 15' ' ' LEU . 34.6 m -134.05 -177.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.337 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 47.7 mt-10 -128.9 170.91 12.83 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.459 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 5.5 p -66.79 -32.74 74.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.162 0.506 . . . . 0.0 110.25 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -79.56 -4.57 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.111 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -66.64 144.16 56.56 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.029 175.553 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 26' ' ' VAL . 31.8 p -87.05 149.32 24.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.52 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 50.1 mm -55.9 -34.37 37.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 36.8 t70 -72.63 -32.11 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.104 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -65.05 -39.37 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.348 0.594 . . . . 0.0 109.579 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 22' ' ' THR . 16.3 t -63.78 -39.7 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.654 176.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 95.9 mttt -56.47 -47.42 79.26 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.557 175.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -60.41 -40.34 90.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.935 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HB3' HD11 ' B' ' 15' ' ' LEU . 99.6 mttt -66.59 -29.21 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -80.71 -40.99 19.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.012 0.434 . . . . 0.0 110.47 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.65 -34.78 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.433 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.34 -25.81 50.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.028 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -107.82 -60.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.881 -174.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.429 ' HB3' HG13 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -88.19 -13.4 41.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.764 0.316 . . . . 0.0 111.804 -176.281 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.07 60.55 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.663 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.466 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 62.6 mt -89.01 118.49 69.27 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.486 0.184 . . . . 0.0 110.568 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.537 ' HB2' ' OD1' ' B' ' 39' ' ' ASP . 9.3 Cg_endo -54.14 135.26 63.87 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.173 2.582 . . . . 0.0 112.494 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -57.05 -33.57 95.97 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.399 2.732 . . . . 0.0 113.004 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.537 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 16.8 p-10 -72.11 -23.93 61.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.668 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 59.0 tt0 -82.87 -26.82 31.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.29 0.567 . . . . 0.0 110.144 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.433 ' HG3' HG22 ' B' ' 36' ' ' ILE . 48.1 mt-30 -77.59 111.42 13.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.17 -175.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -113.4 112.79 24.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.443 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.9 mm? -86.67 134.59 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -177.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -124.74 128.48 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.131 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -112.76 94.63 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.331 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.53 17.22 4.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.509 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.01 -24.4 6.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.365 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' B' ' 48' ' ' LYS . 4.7 ttmp? -85.42 118.1 24.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -73.82 136.01 43.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.443 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 41.7 mt -106.96 113.76 27.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.36 151.71 20.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.746 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.475 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.2 p-10 -74.07 159.14 33.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.49 13.14 68.39 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -171.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -134.28 157.89 45.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -102.58 170.45 8.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.7 mp -72.6 -28.24 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -62.04 -37.54 85.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.66 -53.23 60.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.449 -176.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -84.73 3.4 37.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.297 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 54.22 65.25 1.56 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 111.039 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.9 mt -94.14 122.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.01 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -72.94 164.58 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.534 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.27 156.84 20.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 38.3 mt-10 64.96 22.66 12.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.387 0.613 . . . . 0.0 109.937 -176.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 p -82.97 163.61 20.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.36 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -109.76 125.45 52.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.464 HD12 HD12 ' B' ' 3' ' ' ILE . 88.9 mt -115.71 140.31 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.017 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -98.83 130.47 45.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.718 0.294 . . . . 0.0 110.224 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.606 HD23 HG22 ' B' ' 7' ' ' THR . 56.4 tp -106.1 98.47 8.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.404 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.14 130.3 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' B' ' 8' ' ' LEU . 2.9 mm? -92.95 125.99 37.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.323 0.583 . . . . 0.0 111.697 -171.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.668 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 65.7 ttt180 -72.38 112.94 8.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -165.904 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.624 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 61.9 mttp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.865 0.364 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -109.43 145.42 36.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.68 149.6 21.58 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.526 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.498 HG13 HG22 ' A' ' 64' ' ' VAL . 68.9 mt -115.33 111.74 36.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 25' ' ' ILE . 2.9 p -72.11 133.81 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 111.173 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.41 -35.7 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.959 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -100.73 150.75 22.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 0.0 111.054 -176.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.429 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 11.2 m-20 -87.12 91.68 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.92 126.71 34.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.293 -174.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -93.82 123.19 37.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 124.35 32.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.804 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -76.89 -66.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.054 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -83.63 170.3 14.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.72 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -77.59 -20.84 53.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 109.924 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.99 -20.84 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.983 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -91.63 158.35 16.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.573 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.2 tp -125.38 126.28 44.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 0.0 111.455 -176.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -73.64 112.92 10.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.26 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.56 HD12 HG21 ' A' ' 11' ' ' VAL . 7.7 pt -116.45 144.57 23.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -105.6 143.04 34.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.923 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -58.38 116.98 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.062 0.458 . . . . 0.0 110.553 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.19 -10.29 31.35 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.714 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.35 146.06 55.04 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.149 0.5 . . . . 0.0 110.679 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.9 tppt? -97.69 118.53 34.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 47' ' ' LEU . 35.3 m -124.61 150.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.281 0.563 . . . . 0.0 111.692 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -98.35 134.4 41.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.359 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.624 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 49.7 mt -93.22 100.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.897 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.44 -63.95 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.547 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.66 ' H ' ' HB2' ' A' ' 44' ' ' MET . 47.9 t0 -112.2 125.66 54.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.2 p-10 -137.4 -26.65 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -172.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.29 -22.12 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.068 -0.395 . . . . 0.0 111.873 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -36.8 74.82 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -136.82 118.87 15.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.788 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -90.36 -6.24 55.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.097 0.475 . . . . 0.0 110.566 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' B' ' 8' ' ' LEU . 4.1 m-20 -84.66 -49.76 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -131.37 127.63 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.984 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.429 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 35.9 m0 -101.97 157.46 16.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.032 0.444 . . . . 0.0 111.614 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.66 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.6 mmm -92.4 102.04 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.995 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.581 ' SG ' HD23 ' A' ' 23' ' ' LEU . 29.6 p -100.57 146.81 26.65 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.485 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 50.0 tt0 -125.67 124.99 42.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.0 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.629 HD23 HG12 ' A' ' 31' ' ' VAL . 90.9 mt -76.12 133.93 40.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 30' ' ' LYS . 80.7 t -69.5 -36.81 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.84 -70.73 0.19 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 p -77.05 -50.64 12.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.904 0.383 . . . . 0.0 111.41 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.55 -0.25 29.24 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.367 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.6 155.76 40.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.636 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -131.19 160.85 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.618 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -179.44 169.3 40.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.866 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.96 130.94 35.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.626 0.251 . . . . 0.0 110.682 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 HD13 ' A' ' 25' ' ' ILE . 27.1 m -140.2 157.18 69.43 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.308 177.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.4 131.22 44.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.796 2.33 . . . . 0.0 112.511 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.44 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.225 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.541 HE22 HG22 ' B' ' 70' ' ' VAL . 11.9 pm0 -85.01 3.76 37.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.859 0.361 . . . . 0.0 111.361 -174.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -91.59 -9.2 45.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.073 0.464 . . . . 0.0 110.271 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.427 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 41.4 mm -111.12 126.58 68.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.433 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -92.65 107.88 27.48 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 61' ' ' ILE . 27.3 Cg_exo -62.18 129.03 25.63 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.298 1.998 . . . . 0.0 111.054 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 10' ' ' ILE . 4.9 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.785 0.802 . . . . 0.0 109.79 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.462 ' HB2' ' HG2' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -128.7 141.91 51.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.383 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.523 HD12 HD12 ' B' ' 67' ' ' LEU . 37.3 pt -125.41 158.34 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -106.03 107.54 18.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.119 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.3 t -84.54 98.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -101.73 110.23 22.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.717 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.654 HG22 HD23 ' B' ' 69' ' ' LEU . 62.5 p -82.61 -174.45 5.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.496 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.642 HD13 ' HA ' ' A' ' 41' ' ' ASP . 25.3 mt -74.11 -31.71 62.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.539 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 p -90.41 9.09 30.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.901 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.09 49.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.753 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -62.86 117.34 6.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.871 0.367 . . . . 0.0 110.201 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 17.2 m -123.88 114.11 19.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.415 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.426 HG13 ' HB ' ' B' ' 5' ' ' VAL . 20.9 pt -108.76 145.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.451 . . . . 0.0 111.283 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -90.62 112.02 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.712 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -106.8 128.12 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.876 -172.173 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -80.47 106.38 12.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.472 0.653 . . . . 0.0 111.015 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.712 HG13 HD12 ' B' ' 15' ' ' LEU . 15.8 m -141.64 153.08 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.927 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 4.6 tp10 -111.62 173.24 6.44 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 7.2 m -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 0.0 110.409 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -81.27 -8.77 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.968 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -70.19 128.1 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.177 0.513 . . . . 0.0 110.904 -178.311 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.474 ' O ' HG23 ' B' ' 26' ' ' VAL . 9.9 p -81.29 151.11 28.22 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.962 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.557 HG22 ' HE3' ' B' ' 27' ' ' LYS . 43.1 mm -57.04 -40.42 72.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.677 0.275 . . . . 0.0 110.583 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.56 -43.96 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.409 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -70.19 -39.36 75.27 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.525 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 22' ' ' THR . 48.9 t -58.84 -42.47 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.557 ' HE3' HG22 ' B' ' 23' ' ' ILE . 98.6 mttt -58.3 -45.26 88.34 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.194 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.5 p -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 111.189 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HB3' HD11 ' B' ' 15' ' ' LEU . 95.3 mttt -67.15 -38.99 86.44 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.4 mt -71.0 -35.25 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.94 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.42 -24.31 66.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.08 -32.13 66.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 0.0 110.546 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -92.68 -63.05 1.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.729 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.37 -24.11 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.03 45.6 25.62 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.076 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.9 130.34 23.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.8 Cg_endo -56.54 129.93 37.34 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.964 2.443 . . . . 0.0 112.385 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -59.75 -27.47 85.02 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.281 2.654 . . . . 0.0 112.622 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.7 -35.56 80.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.358 0.599 . . . . 0.0 110.678 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.464 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 23.5 tt0 -81.9 -31.59 31.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.997 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.437 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 49.4 mt-30 -79.89 121.16 25.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.037 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -131.92 116.61 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.355 0.598 . . . . 0.0 110.435 166.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.435 HD13 HD13 ' B' ' 67' ' ' LEU . 63.9 mt -81.18 132.61 35.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.289 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.401 HD12 HG21 ' B' ' 70' ' ' VAL . 55.1 mt -119.51 126.12 75.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.018 0.437 . . . . 0.0 110.257 176.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -127.8 116.16 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.2 25.88 15.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.44 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 98.41 -14.17 62.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.754 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -85.95 129.38 34.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -86.94 115.8 24.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.467 HD21 HD11 ' B' ' 61' ' ' ILE . 10.0 mp -70.29 112.9 6.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 9.3 tp10 -64.88 146.98 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.584 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.37 -37.42 77.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.709 -174.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' B' ' 51' ' ' GLU . . . -99.04 26.21 25.18 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.294 -176.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.528 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 10.3 mmt180 -107.39 170.39 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.078 0.439 . . . . 0.0 111.159 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -106.94 167.63 9.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.12 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.56 -26.4 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.026 0.441 . . . . 0.0 110.446 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 34.3 t -69.42 -34.43 74.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.719 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -64.27 -36.35 83.8 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.849 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.417 ' CZ ' ' HA ' ' B' ' 50' ' ' LEU . 82.5 m-85 -90.92 1.68 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 58.86 71.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.814 0.816 . . . . 0.0 110.267 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.467 HD11 HD21 ' B' ' 50' ' ' LEU . 69.2 mt -110.93 125.22 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.708 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -99.28 -176.17 3.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' B' ' 1' ' ' MET . 8.6 mtmp? -67.95 140.74 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.695 0.283 . . . . 0.0 111.27 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 67.33 20.18 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.575 171.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.6 m -70.86 133.09 46.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.712 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.3 m -88.78 114.79 25.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.866 0.365 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.523 HD12 HD12 ' B' ' 3' ' ' ILE . 81.6 mt -97.37 129.35 44.63 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.782 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.456 ' HB3' HE21 ' A' ' 59' ' ' GLN . 91.6 m-70 -85.62 109.12 18.34 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.654 HD23 HG22 ' B' ' 7' ' ' THR . 43.8 tp -83.67 104.18 13.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.024 0.44 . . . . 0.0 110.573 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.541 HG22 HE22 ' A' ' 59' ' ' GLN . 44.8 t -101.11 132.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.464 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 2.8 mm? -97.02 132.62 42.64 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.265 0.555 . . . . 0.0 111.074 -173.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -85.05 130.85 34.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.464 -176.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.711 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 91.4 mttt . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 8' ' ' ARG . 62.0 mtt85 -126.66 141.21 51.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.57 178.94 30.27 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.95 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -131.33 135.57 59.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 29' ' ' ASP . 2.4 p -76.19 122.91 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 110.294 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -98.09 -29.76 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.015 -172.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 89.0 m-85 -119.44 158.46 26.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.974 0.416 . . . . 0.0 111.214 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.556 ' HB3' ' HA3' ' B' ' 47' ' ' GLY . 18.7 t0 -80.36 123.91 28.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.691 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.555 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 79.4 t80 -128.51 110.18 12.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.958 0.408 . . . . 0.0 111.293 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.731 ' HA ' HG23 ' A' ' 24' ' ' THR . 25.4 ptm -91.08 130.42 36.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.841 173.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -90.71 153.81 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.64 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.53 ' HG2' ' NH2' ' B' ' 42' ' ' ARG . 11.4 pt-20 -116.93 -12.24 10.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.038 0.447 . . . . 0.0 109.975 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 m -121.63 157.01 31.74 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.899 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -74.08 -25.9 60.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.45 -23.33 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.662 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 45.1 mt-10 -77.26 171.41 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.147 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.537 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 50.3 tp -127.56 109.74 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.428 177.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.731 HG23 ' HA ' ' A' ' 16' ' ' MET . 33.7 m -64.95 105.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.944 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.555 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 15.1 pt -109.21 138.52 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.3 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -106.61 127.59 53.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.852 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -52.12 132.44 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.414 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -14.19 30.77 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.115 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.442 ' O ' HG12 ' A' ' 11' ' ' VAL . 37.3 t0 -86.62 153.13 22.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 110.074 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 80.9 tttt -91.54 137.05 32.67 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 61' ' ' ILE . 16.3 m -129.78 147.6 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.389 0.614 . . . . 0.0 111.678 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' CE2' HG22 ' A' ' 48' ' ' VAL . 60.4 m-85 -98.53 123.72 42.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.482 173.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.8 mt -84.92 102.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.995 0.426 . . . . 0.0 109.947 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 89.0 mt -66.54 -46.82 74.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.836 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.571 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 5.8 t0 -153.31 142.63 21.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.062 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -110.48 -11.49 14.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.217 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 55.0 mtmt -141.71 27.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.848 -173.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 28.1 mmtm -69.97 -47.49 62.07 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 m -105.54 -5.81 19.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.554 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 80.6 tttt 70.17 -69.45 0.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.084 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.572 ' HB3' HD22 ' B' ' 8' ' ' LEU . 21.1 m-20 -79.57 -17.6 53.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.59 0.71 . . . . 0.0 110.227 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' HH2' ' OE2' ' A' ' 22' ' ' GLU . 12.0 m95 -115.85 132.94 56.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.954 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -111.03 159.07 18.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.244 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.452 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 18.9 mtp -108.21 112.7 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.9 m -124.69 148.13 48.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.068 0.461 . . . . 0.0 111.615 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 37.2 tt0 -121.85 129.76 52.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.213 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 31' ' ' VAL . 90.8 mt -68.58 134.91 50.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.543 HG22 ' CE2' ' A' ' 32' ' ' TYR . 73.6 t -63.2 -51.21 74.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -69.56 -60.88 2.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.875 0.369 . . . . 0.0 111.481 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.3 p -74.16 -39.55 63.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.03 4.18 60.16 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.037 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -66.98 121.91 16.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.304 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 2.6 m -116.29 135.74 53.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.19 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -163.68 -176.26 35.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.62 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.63 132.13 35.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.818 0.342 . . . . 0.0 110.693 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.93 154.69 77.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 49.3 Cg_endo -71.64 142.76 40.64 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.403 2.069 . . . . 0.0 112.398 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -25.77 67.8 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 47.7 mt-30 -70.34 -3.76 18.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.509 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 4.1 m-85 -114.87 -8.2 12.57 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.985 -170.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 31' ' ' VAL . 44.1 mm -115.65 127.85 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 111.13 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.57 108.29 58.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.483 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.04 127.4 24.1 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.473 2.115 . . . . 0.0 111.533 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.726 -173.423 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.401 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 121.193 0.521 . . . . 0.0 110.574 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 94.6 mt-30 -81.62 140.28 34.52 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.886 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -117.79 143.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.415 171.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -99.06 92.64 5.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.708 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.732 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -89.67 109.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.673 0.749 . . . . 0.0 110.192 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.8 mttp -95.8 113.63 25.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.815 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 81.2 p -71.9 159.64 33.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.849 -177.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 41' ' ' ASP . 3.2 tt -58.99 -33.66 70.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.15 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -66.33 -36.8 83.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.35 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.12 47.39 0.2 Allowed Glycine 0 CA--C 1.505 -0.544 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.762 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 16.4 tppt? -128.7 112.96 14.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.603 0.24 . . . . 0.0 110.577 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.2 m -83.09 95.93 8.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.438 . . . . 0.0 110.122 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.732 ' HB ' HG13 ' B' ' 5' ' ' VAL . 62.2 mt -90.7 136.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.309 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -99.04 113.07 25.09 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -117.75 135.19 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.788 -175.481 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -92.27 105.92 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.34 179.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 28.5 tt0 -122.18 151.06 41.39 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.915 -0.491 . . . . 0.0 110.469 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -58.79 -28.5 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.424 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -95.06 12.65 27.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.549 -179.343 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.569 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -80.93 161.14 24.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.687 178.375 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.0 p -87.56 152.61 22.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.627 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.1 mm -60.92 -30.75 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.42 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.073 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -61.84 -45.86 91.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.745 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 65.2 t -58.83 -45.83 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.734 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 83.5 mttt -58.74 -42.65 89.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.314 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 t -65.1 -39.0 92.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.455 . . . . 0.0 110.766 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' B' ' 15' ' ' LEU . 30.2 mtpp -70.42 -29.0 65.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.7 mt -74.76 -35.63 37.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.32 -32.21 71.01 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.176 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.79 -33.5 74.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.321 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -87.34 -58.78 2.46 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.636 -174.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -91.79 -15.34 28.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 35.52 63.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.23 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.41 HG22 ' HG3' ' B' ' 41' ' ' GLN . 59.7 mt -106.02 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -177.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 73.6 Cg_exo -50.89 131.37 34.17 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.168 2.578 . . . . 0.0 112.777 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.44 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 23.9 Cg_exo -64.24 -30.37 64.22 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.182 2.588 . . . . 0.0 112.496 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.52 -24.97 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.17 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 35.9 tt0 -90.02 -36.44 14.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.679 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.454 ' HB3' HD11 ' B' ' 69' ' ' LEU . 26.6 mt-30 -63.74 117.12 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.53 ' NH2' ' HG2' ' A' ' 18' ' ' GLU . 60.5 mtp180 -119.96 120.51 36.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.809 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.7 mt -97.53 132.72 42.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.22 128.47 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.186 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -130.64 114.21 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.958 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.59 18.86 9.9 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.556 ' HA3' ' HB3' ' A' ' 14' ' ' ASP . . . 99.85 -10.3 60.48 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -87.68 129.41 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.72 123.33 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.7 mp -82.5 105.61 13.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.992 0.425 . . . . 0.0 110.392 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -89.9 133.99 34.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.627 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.7 p-10 -76.51 141.61 41.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.13 -173.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.08 -30.15 6.7 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -89.23 -178.19 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 48.3 p -107.99 168.85 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.54 176.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 18' ' ' GLU . 97.3 mt -68.65 -23.15 64.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.226 0.536 . . . . 0.0 110.303 176.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.1 t -71.11 -21.61 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.49 -33.67 74.18 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' B' ' 50' ' ' LEU . 62.1 m-85 -106.17 11.19 31.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 52.57 48.91 21.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.236 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.34 126.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -90.1 -176.14 4.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.246 -176.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 93.7 mttt -74.65 146.38 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.952 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 67.43 24.39 8.84 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 172.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -79.99 151.34 30.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.432 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -98.58 129.48 45.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.144 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 77.8 mt -117.35 142.91 46.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.429 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -103.75 127.14 51.25 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.283 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.595 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 62.1 tp -97.91 107.21 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.189 0.519 . . . . 0.0 111.118 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.2 t -104.84 123.79 59.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.534 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.12 138.82 41.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 60.8 ttm-85 -67.61 -25.77 65.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.087 176.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--O 1.233 0.204 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.388 179.174 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.752 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 43.6 mttp . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.792 0.33 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -126.03 140.56 52.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.104 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -148.25 167.3 29.02 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.44 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.513 ' CD1' ' HB ' ' A' ' 64' ' ' VAL . 2.4 mp -113.51 125.38 70.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 p -75.73 116.59 18.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.422 0.63 . . . . 0.0 110.432 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.6 -36.86 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.927 -172.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.8 147.01 49.55 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.196 -0.201 . . . . 0.0 110.75 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.08 149.66 47.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.005 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.598 ' HB3' HG12 ' A' ' 25' ' ' ILE . 71.0 t80 -144.34 109.94 5.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.861 0.363 . . . . 0.0 110.316 177.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.3 mmt -89.64 107.72 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.622 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -77.02 177.71 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.724 -175.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -141.62 -41.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.113 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -86.91 170.32 11.73 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -78.0 -17.2 57.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.382 . . . . 0.0 110.396 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.72 -36.81 78.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.579 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 1.7 mp0 -87.86 148.32 24.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.08 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.54 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 60.0 tp -111.69 127.8 55.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.291 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -73.08 101.24 3.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.598 HG12 ' HB3' ' A' ' 15' ' ' PHE . 20.6 pt -103.09 145.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -114.11 128.34 56.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.124 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.6 t -55.38 122.08 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.16 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.81 -3.84 45.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.691 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.24 178.5 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -112.2 120.42 41.72 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 28.7 m -122.14 137.39 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.4 0.619 . . . . 0.0 112.255 -177.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CD2' HG22 ' A' ' 48' ' ' VAL . 10.5 m-85 -87.95 117.65 26.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.616 170.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.752 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 60.8 mt -82.29 106.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.514 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 61.8 mt -69.25 -41.57 76.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.837 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 13.6 t70 -161.48 141.03 10.27 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.999 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HB3' HG21 ' A' ' 33' ' ' ILE . 13.9 p-10 -138.76 19.14 2.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.839 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -123.88 -34.35 3.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.028 -172.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 43.6 mmtm -65.83 -27.42 68.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.684 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -133.85 145.76 49.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.95 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -92.76 -27.22 17.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -81.81 -69.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.471 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -104.81 137.96 41.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.916 0.389 . . . . 0.0 110.48 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.5 m0 -113.54 161.7 17.06 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.514 ' HG3' ' HB2' ' A' ' 34' ' ' LEU . 7.4 ptp -113.88 123.8 50.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.177 178.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.56 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 29.4 p -125.09 164.24 20.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.455 -178.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 34.8 tt0 -133.37 122.27 23.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.883 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD23 HG12 ' A' ' 31' ' ' VAL . 89.8 mt -60.73 123.7 18.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.585 HG22 ' CD2' ' A' ' 32' ' ' TYR . 97.3 t -60.33 -47.6 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -41.95 62.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.683 0.278 . . . . 0.0 110.947 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -83.38 -31.72 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.717 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.93 34.73 58.67 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.662 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 46' ' ' GLN . 26.6 mtpp -112.68 134.55 54.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -118.44 149.95 40.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -175.52 -178.87 45.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.41 136.82 32.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.477 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.89 157.65 71.27 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.278 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.629 ' HB3' HG21 ' B' ' 70' ' ' VAL . 24.0 Cg_exo -64.06 132.31 33.88 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.431 2.087 . . . . 0.0 111.839 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -28.94 62.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 111.726 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.73 0.44 17.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.9 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -110.44 -5.69 15.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.488 HD12 HG21 ' A' ' 31' ' ' VAL . 43.2 mm -120.43 138.14 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.199 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 9.6 tp10 -115.17 106.76 50.77 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.682 173.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 62' ' ' GLU . 18.0 Cg_endo -60.79 128.5 25.82 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.72 2.28 . . . . 0.0 111.774 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.513 ' HB ' ' CD1' ' A' ' 10' ' ' ILE . 4.8 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.038 0.447 . . . . 0.0 110.598 -175.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.749 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.192 0.52 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -87.73 134.17 33.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.569 ' HB ' HD13 ' B' ' 67' ' ' LEU . 34.6 pt -118.51 135.13 59.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 172.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -89.06 101.87 14.52 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -87.97 99.01 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.212 0.529 . . . . 0.0 110.671 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -81.9 109.24 16.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.505 174.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.586 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 47.4 p -79.21 153.6 29.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.934 0.397 . . . . 0.0 110.343 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 8' ' ' LEU . 5.3 tt -65.25 -20.57 66.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.694 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.8 p -78.17 -3.8 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.401 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 30.0 8.12 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.775 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.469 ' HB2' ' OG1' ' B' ' 7' ' ' THR . 48.6 mmtm -116.12 169.66 9.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -142.22 107.75 5.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.6 mt -108.26 113.33 43.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.695 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.0 m -72.16 112.32 8.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.841 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.64 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -112.28 124.61 52.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.58 113.57 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.413 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.64 HG13 HD12 ' B' ' 15' ' ' LEU . 12.0 m -140.86 157.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.683 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.618 ' O ' HD12 ' B' ' 56' ' ' LEU . 3.0 mp0 -104.19 161.96 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 14.4 m -66.1 -19.0 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -77.4 -14.35 59.73 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.35 146.11 50.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.131 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.785 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.3 p -88.48 158.76 18.24 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 30.6 mm -57.88 -30.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 173.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 24.1 t70 -62.55 -46.96 85.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.837 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.408 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 54.3 t30 -72.97 -33.81 66.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 22' ' ' THR . 47.1 t -62.33 -41.76 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 87.5 mttt -57.17 -40.87 78.18 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.391 174.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.7 t -63.44 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.7 mttt -73.46 -27.93 61.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 26' ' ' VAL . 62.8 mt -78.1 -32.52 17.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.29 0.566 . . . . 0.0 109.687 173.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.7 -29.78 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.675 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.93 -16.77 62.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.737 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.699 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -87.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -105.31 -15.08 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.98 66.75 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.538 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.35 124.63 91.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.625 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 22.5 Cg_endo -61.38 143.75 97.93 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.357 2.038 . . . . 0.0 111.841 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.2 Cg_exo -61.18 -27.0 83.21 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.015 2.477 . . . . 0.0 113.213 -177.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 13.3 t70 -65.75 -45.86 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.688 0.28 . . . . 0.0 111.213 -175.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.625 ' HG2' ' HG2' ' B' ' 37' ' ' PRO . 7.6 pt20 -80.53 1.86 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -176.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -99.41 123.56 43.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.727 0.298 . . . . 0.0 111.1 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -128.65 121.17 27.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -96.58 136.77 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.701 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.405 ' N ' HD12 ' B' ' 44' ' ' ILE . 4.2 mp -122.76 121.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 22.4 t80 -111.07 98.73 7.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.44 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.4 22.32 10.76 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.159 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 -10.6 27.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.597 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -84.02 139.2 32.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.514 0.197 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -79.19 117.5 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.636 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.662 HD21 HD11 ' B' ' 61' ' ' ILE . 10.0 mp -119.4 99.69 6.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.036 0.446 . . . . 0.0 110.996 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -119.7 166.78 12.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 7.1 p-10 -68.41 147.37 52.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.11 0.481 . . . . 0.0 111.135 -173.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.21 -42.14 1.92 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 54' ' ' ARG . 16.3 mmt180 -84.91 160.69 20.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.332 . . . . 0.0 110.108 177.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.785 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.1 p -101.05 172.03 7.26 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.637 HD22 HD12 ' B' ' 61' ' ' ILE . 81.2 mt -74.5 -19.18 60.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.216 0.531 . . . . 0.0 109.736 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -80.82 -27.35 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -54.96 -60.94 2.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -83.91 -12.63 55.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.146 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 63.27 90.92 0.08 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.662 HD11 HD21 ' B' ' 50' ' ' LEU . 58.3 mt -101.33 144.31 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.84 -170.38 2.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.749 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 10.4 mtmp? -92.69 143.67 26.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.576 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.99 26.01 12.69 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.813 0.696 . . . . 0.0 111.152 173.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 18.7 m -80.19 155.61 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.3 m -100.34 126.42 46.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 111.316 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.569 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.7 mp -117.37 143.58 45.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -103.95 127.84 51.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.605 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.586 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 63.1 tp -94.18 108.37 20.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.629 HG21 ' HB3' ' A' ' 57' ' ' PRO . 65.7 t -105.52 122.08 58.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 3.3 mm? -82.94 156.64 23.38 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.198 0.523 . . . . 0.0 111.291 -174.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 67.7 mtp180 -109.96 149.15 30.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.85 176.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.034 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -93.45 168.55 10.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.294 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.16 151.94 24.15 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.963 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.508 HG13 HG22 ' A' ' 64' ' ' VAL . 62.3 mt -119.39 120.93 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -78.19 136.07 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 111.887 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -74.49 -66.32 0.75 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.487 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.508 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.5 m-85 -96.84 -170.02 1.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.872 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -94.69 161.82 14.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.508 ' HB3' HG12 ' A' ' 25' ' ' ILE . 43.8 t80 -147.51 107.2 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.522 ' HA ' HG23 ' A' ' 24' ' ' THR . 66.2 mtt -93.73 105.2 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.859 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.639 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -76.63 156.17 32.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.88 -174.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.8 -33.36 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -94.5 153.92 17.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.896 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -71.41 -16.49 62.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.428 -175.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -84.64 -14.56 48.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.639 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 48.0 mt-10 -90.86 161.66 15.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.763 0.316 . . . . 0.0 110.309 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.502 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.4 tp -117.88 116.91 27.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.865 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.522 HG23 ' HA ' ' A' ' 16' ' ' MET . 22.3 m -75.19 117.74 17.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.698 HG22 HD21 ' A' ' 47' ' ' LEU . 31.5 pt -133.47 161.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.425 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -113.95 158.97 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.132 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -66.95 117.85 9.6 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.866 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.88 -0.17 30.28 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 140.98 38.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.815 0.34 . . . . 0.0 110.36 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -85.54 132.95 34.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.982 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 45' ' ' CYS . 10.4 m -133.21 149.95 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD2' HG22 ' A' ' 48' ' ' VAL . 37.7 m-85 -97.15 135.93 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 168.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.497 ' CG2' ' HB3' ' A' ' 36' ' ' ASP . 30.1 mt -94.9 107.99 20.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -76.38 -78.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.658 ' H ' ' HB2' ' A' ' 44' ' ' MET . 17.4 t70 -93.9 106.74 18.69 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.497 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 7.2 p-10 -123.87 4.89 8.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.549 175.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.51 -62.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.997 -172.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -78.33 -49.11 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -80.36 131.41 35.62 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -115.44 -25.45 7.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.237 0.541 . . . . 0.0 110.169 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.708 ' HA ' HD21 ' B' ' 8' ' ' LEU . 3.2 m-20 -79.11 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.079 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -125.35 151.62 45.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.382 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.2 m0 -123.18 149.33 44.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.774 0.321 . . . . 0.0 110.293 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.658 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 73.1 mtp -87.89 129.29 35.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 87.2 m -138.47 159.3 42.43 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.72 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -132.84 125.2 29.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.834 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.698 HD21 HG22 ' A' ' 25' ' ' ILE . 97.5 mt -61.18 126.61 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.528 0.518 . . . . 0.0 110.509 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.483 HG22 ' CD2' ' A' ' 32' ' ' TYR . 90.1 t -67.43 -34.49 68.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 110.79 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.675 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 p -86.46 -31.14 21.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -172.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 15.52 52.94 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.433 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HB2' HD12 ' A' ' 47' ' ' LEU . 29.6 mtpp -83.5 133.01 34.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 t -117.26 157.98 25.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.758 0.313 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.502 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 171.88 -173.31 45.06 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.183 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.88 137.14 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.77 148.91 67.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.363 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.514 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 23.6 Cg_exo -64.46 131.39 29.71 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.458 2.105 . . . . 0.0 111.851 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.84 -14.98 63.3 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.497 ' CD ' ' HA ' ' B' ' 8' ' ' LEU . 38.2 mt-30 -78.73 -9.23 59.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 111.045 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.514 ' CD1' ' HB2' ' A' ' 57' ' ' PRO . 29.9 m-85 -105.3 -13.76 15.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.607 -174.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mm -106.11 129.37 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 6.3 mm-40 -109.21 104.94 56.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.062 172.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' GLU . 12.1 Cg_endo -57.52 135.84 72.24 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.618 2.212 . . . . 0.0 111.628 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 10' ' ' ILE . 4.8 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.588 0.709 . . . . 0.0 111.671 -171.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.747 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 121.63 0.728 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -103.91 130.07 51.48 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.243 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.553 HD12 HD12 ' B' ' 67' ' ' LEU . 31.2 pt -117.34 148.58 20.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.918 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.01 100.36 11.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.916 0.388 . . . . 0.0 110.445 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.7 t -83.38 97.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.436 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -92.51 101.98 14.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.589 HG22 HD23 ' B' ' 69' ' ' LEU . 61.5 p -70.98 165.17 23.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.129 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 41' ' ' ASP . 5.7 tt -62.82 -31.73 72.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.868 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.1 p -70.3 -27.59 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.761 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.65 -2.57 11.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.672 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -76.68 122.55 24.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -103.66 93.3 4.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -93.92 125.24 46.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.593 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -89.43 112.04 23.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.901 0.381 . . . . 0.0 109.976 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.3 128.64 54.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.421 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.17 106.42 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.622 173.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.17 -175.15 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.464 -175.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.406 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 34.5 tt0 -123.06 156.22 35.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -65.88 -35.12 79.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.486 . . . . 0.0 110.624 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -89.15 8.09 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.737 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 9.1 t70 -80.24 136.96 36.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 62.8 p -81.3 151.3 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 0.0 111.741 -173.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' B' ' 50' ' ' LEU . 42.6 mm -55.5 -34.45 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.41 -39.69 85.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.479 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 31.6 t-20 -70.49 -34.89 72.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.856 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 22' ' ' THR . 24.6 t -67.67 -38.67 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -57.66 -45.67 85.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.095 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.2 p -68.56 -33.99 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 63.2 mttp -59.49 -45.27 92.17 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.62 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.0 mt -67.95 -39.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.618 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.81 -30.81 70.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.3 -24.12 64.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.51 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -87.12 -69.79 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -104.06 6.14 35.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.65 26.74 73.57 Favored Glycine 0 CA--C 1.516 0.112 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.96 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -76.7 118.25 70.38 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.854 -0.203 . . . . 0.0 110.828 -177.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -54.6 134.0 59.79 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.016 2.478 . . . . 0.0 112.446 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -58.94 -36.17 97.32 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.414 2.742 . . . . 0.0 113.264 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.85 -33.39 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.217 0.532 . . . . 0.0 110.978 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 55.7 tt0 -74.46 -26.85 60.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -77.94 120.06 22.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.96 -175.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -125.36 114.31 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.12 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.44 ' HB3' HD22 ' B' ' 50' ' ' LEU . 98.8 mt -88.43 127.82 35.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.57 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.54 HD12 HG21 ' B' ' 70' ' ' VAL . 73.2 mt -117.5 119.02 60.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.41 177.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.435 ' HD2' ' HD2' ' B' ' 48' ' ' LYS . 61.3 t80 -107.65 97.48 7.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.157 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.37 19.49 7.75 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.976 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.59 -18.69 11.74 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.166 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.435 ' HD2' ' HD2' ' B' ' 45' ' ' PHE . 62.1 mttm -75.7 133.79 40.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.654 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -88.32 116.42 26.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.217 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' B' ' 23' ' ' ILE . 10.9 mp -87.65 110.79 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.355 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -85.85 141.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.368 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.552 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -80.2 117.21 20.79 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.526 0.679 . . . . 0.0 110.162 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -34.67 1.9 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -87.42 177.15 7.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.1 p -104.56 178.68 4.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.768 0.318 . . . . 0.0 110.778 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.712 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 85.7 mt -71.12 -28.55 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.387 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -66.53 -27.22 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.69 -23.31 67.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.451 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -121.71 19.01 11.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.684 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 62.08 30.71 17.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.756 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.712 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 70.9 mt -78.28 102.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.298 0.571 . . . . 0.0 110.578 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.44 -172.06 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.407 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 12.3 ptmm? -71.62 144.92 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 67.21 17.57 10.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.715 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -78.17 139.76 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 m -93.89 102.62 14.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.08 0.467 . . . . 0.0 111.334 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.553 HD12 HD12 ' B' ' 3' ' ' ILE . 85.4 mt -92.05 117.94 30.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.469 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -81.82 115.51 21.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.589 HD23 HG22 ' B' ' 7' ' ' THR . 58.6 tp -88.76 94.94 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.631 HG13 HD12 ' B' ' 8' ' ' LEU . 31.4 t -95.51 120.61 45.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.349 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.62 132.84 34.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 24.0 mmm180 -75.79 150.16 37.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 -176.146 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 39.1 mttp . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 64' ' ' VAL . 22.1 mtm180 -126.93 159.59 33.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.731 -0.388 . . . . 0.0 109.96 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.79 165.85 35.9 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.37 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mt -120.83 124.27 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 3.2 p -72.23 126.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.388 0.613 . . . . 0.0 111.585 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -80.85 -60.35 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.476 -175.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.423 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 92.0 m-85 -84.23 -179.91 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -112.65 108.69 17.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.658 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 83.7 t80 -109.28 119.31 39.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 112.037 -171.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.449 ' HA ' HG23 ' A' ' 24' ' ' THR . 86.7 mmm -93.01 129.67 38.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.72 173.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -103.61 154.24 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.779 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.46 -42.12 2.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 110.279 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -87.77 159.36 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.213 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.486 ' H ' ' CD ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER -73.92 -19.62 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -178.667 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.1 -38.36 88.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.23 0.538 . . . . 0.0 109.957 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt-10 -83.22 161.35 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.816 -173.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' HG ' ' A' ' 47' ' ' LEU . 62.7 tp -123.73 122.33 37.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.845 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.449 HG23 ' HA ' ' A' ' 16' ' ' MET . 25.3 m -71.94 110.5 6.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.247 177.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.551 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.3 pt -120.09 123.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.507 . . . . 0.0 111.268 -174.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -84.33 144.6 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.376 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 t -55.76 128.48 35.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.491 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 12.08 68.25 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.62 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 26' ' ' LYS . 3.9 t70 -84.92 -178.51 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.525 0.663 . . . . 0.0 110.721 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -113.68 118.39 34.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.735 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 61' ' ' ILE . 24.5 m -127.15 141.29 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.401 0.62 . . . . 0.0 112.434 -176.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -82.72 143.96 30.55 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.261 170.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.67 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 59.4 mt -105.13 109.02 26.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.185 0.517 . . . . 0.0 109.857 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -82.59 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.741 -177.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.545 ' H ' ' HB2' ' A' ' 44' ' ' MET . 9.6 t0 -134.79 110.03 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.561 177.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -97.3 22.46 8.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 0.0 111.843 -175.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.2 21.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.821 0.819 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.884 ' HZ2' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -65.63 -49.5 68.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.344 -173.385 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -127.73 17.1 6.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.111 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp 67.23 -64.96 0.24 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.776 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.31 -29.93 48.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.334 0.588 . . . . 0.0 110.409 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -121.75 135.72 54.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.382 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.472 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 46.0 m0 -115.05 167.17 11.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.883 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.545 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 63.2 mmm -98.3 118.92 36.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.0 m -135.55 157.43 46.9 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.893 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 7.5 tt0 -132.47 128.78 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.949 -176.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 31' ' ' VAL . 96.3 mt -65.46 118.65 9.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.04 -39.51 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 123.387 0.429 . . . . 0.0 111.892 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -69.81 -54.99 11.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 t -90.21 -27.81 19.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.767 -171.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.83 0.58 64.0 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.221 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.05 120.72 14.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 4.5 p -119.93 148.93 42.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.861 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.38 -170.78 40.94 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.343 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.1 mm? -85.9 131.95 34.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.487 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 36.0 m -131.03 153.29 81.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.121 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.538 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 17.2 Cg_exo -67.16 140.27 53.24 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.487 2.125 . . . . 0.0 111.991 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -45.68 81.09 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.531 ' OE1' ' HG ' ' B' ' 8' ' ' LEU . 1.6 mp0 -74.15 14.02 0.48 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.658 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 5.6 m-85 -105.72 -25.77 12.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.655 HD12 HG21 ' A' ' 31' ' ' VAL . 36.8 mm -103.0 107.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.96 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.37 134.85 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.412 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -77.36 127.74 9.23 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.58 2.187 . . . . 0.0 110.9 171.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 8' ' ' ARG . 6.8 m . . . . . 0 C--N 1.321 -0.657 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.474 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.8 ptt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.059 0.457 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -82.69 127.97 33.91 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.543 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -118.94 135.54 59.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.09 110.43 21.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.39 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' B' ' 13' ' ' ILE . 44.5 t -82.42 98.34 4.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.282 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 74.2 tttt -100.68 101.3 12.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.21 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.555 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 71.1 p -78.27 173.61 12.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.959 -170.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.531 ' HG ' ' OE1' ' A' ' 59' ' ' GLN . 2.0 tt -76.31 -14.76 60.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.943 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -89.86 -5.15 57.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.745 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.85 10.95 51.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.217 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 42.7 mmtm -84.01 142.71 30.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -133.79 93.37 3.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.861 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.462 HG13 ' HB ' ' B' ' 5' ' ' VAL . 9.7 pt -108.81 150.91 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.173 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.9 m -95.67 126.09 40.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' B' ' 29' ' ' LYS . 17.7 tp -118.54 126.06 51.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.812 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -86.14 106.74 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.417 HG12 ' CD ' ' B' ' 29' ' ' LYS . 33.5 m -125.6 144.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.497 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.485 ' O ' HD12 ' B' ' 56' ' ' LEU . 31.0 tt0 -87.24 153.18 21.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.89 -17.56 64.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.007 0.432 . . . . 0.0 110.72 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.54 -4.57 50.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.9 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.39 142.98 57.41 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.002 0.429 . . . . 0.0 110.797 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 59.8 p -88.38 158.27 18.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.992 175.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.714 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.7 mm -62.02 -32.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.0 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.505 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 4.6 p-10 -69.95 -30.77 68.23 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.645 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 41.1 t-20 -71.53 -43.21 66.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.55 HG21 HD21 ' B' ' 56' ' ' LEU . 47.5 t -60.77 -41.68 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.401 177.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 91.9 mttt -56.39 -44.71 80.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.139 0.495 . . . . 0.0 110.376 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.2 m -68.96 -29.08 67.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 53.8 mttm -65.6 -38.63 90.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.913 0.387 . . . . 0.0 110.097 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.46 -31.68 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.965 177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 55.6 tt0 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.41 0.624 . . . . 0.0 109.562 173.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.26 -34.52 74.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.035 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.72 -70.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.957 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -97.81 -10.65 24.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -171.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.83 39.39 24.7 Favored Glycine 0 C--O 1.23 -0.144 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.657 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 32.0 mt -101.92 129.5 26.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 43.4 Cg_exo -57.34 131.05 42.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.98 2.453 . . . . 0.0 112.599 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.487 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 48.6 Cg_exo -56.75 -44.14 47.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.064 2.509 . . . . 0.0 112.949 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 12.7 m-20 -72.98 -9.06 58.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.909 -176.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 33.7 tt0 -97.48 -9.35 27.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 110.279 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -100.95 127.56 47.38 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.941 -0.474 . . . . 0.0 111.863 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -117.66 112.72 20.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 96.5 mt -88.9 125.56 35.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.558 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 3.2 mp -112.07 124.33 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.445 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -122.68 112.98 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.011 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.62 16.65 6.75 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.072 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 -12.18 46.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.304 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -94.57 138.36 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -86.17 136.54 33.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.237 -177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.651 HD23 HD12 ' B' ' 23' ' ' ILE . 9.3 mp -95.17 102.63 14.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.25 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -80.5 136.49 36.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.714 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.8 p-10 -72.18 135.77 46.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.374 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.79 -44.25 1.2 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -90.32 175.43 7.11 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 72.7 p -96.11 171.51 8.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 111.184 -176.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.55 HD21 HG21 ' B' ' 26' ' ' VAL . 95.7 mt -64.8 -28.84 69.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.187 174.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -66.18 -39.64 89.88 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.573 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -59.58 -39.19 83.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -88.73 4.04 48.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.05 43.09 11.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.828 0.705 . . . . 0.0 111.229 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.557 HD11 HD21 ' B' ' 50' ' ' LEU . 67.9 mt -81.62 132.62 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.593 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -98.91 174.15 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.474 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 63.6 mmtt -69.98 147.29 50.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.547 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 64.17 27.42 14.0 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 110.633 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.5 p -78.47 163.48 25.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.471 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.0 m -123.85 118.14 26.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.748 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.42 143.78 35.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.1 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 91.7 m-70 -100.65 130.32 46.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.831 0.348 . . . . 0.0 110.249 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.555 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 61.1 tp -98.31 108.19 20.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.432 HG22 HD12 ' B' ' 8' ' ' LEU . 67.4 t -108.64 129.48 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.93 149.62 25.51 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.7 0.762 . . . . 0.0 112.319 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 57.8 ttt180 -84.09 144.87 28.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.45 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 120.881 0.372 . . . . 0.0 111.731 -175.213 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.775 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 2.6 mmtp . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -129.05 123.86 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.265 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.56 167.11 29.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.008 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -118.7 129.82 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.445 HG23 ' HB3' ' A' ' 60' ' ' PHE . 4.9 p -75.49 121.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.321 0.581 . . . . 0.0 110.05 175.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.27 -31.59 49.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' O ' HG22 ' A' ' 11' ' ' VAL . 4.4 m-85 -111.8 -177.46 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.797 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.532 ' O ' ' HA2' ' B' ' 47' ' ' GLY . 8.1 m-20 -96.47 160.9 14.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 171.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' HB3' HG12 ' A' ' 25' ' ' ILE . 65.7 t80 -149.24 102.56 3.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.153 0.501 . . . . 0.0 110.668 174.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mtt -83.4 110.98 18.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.765 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.642 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -89.17 150.69 22.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.953 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -130.69 -21.19 2.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.169 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.733 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 22.9 m -89.81 152.29 21.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -73.14 -23.02 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -80.68 -14.4 58.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.801 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.733 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 59.2 mt-10 -86.61 177.2 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.654 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 46.7 tp -136.17 114.59 11.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -70.8 103.3 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.686 HG22 HD21 ' A' ' 47' ' ' LEU . 22.3 pt -117.88 156.58 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -119.48 154.7 33.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.31 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 p -59.71 116.64 4.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.043 0.449 . . . . 0.0 110.871 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.06 -0.35 29.98 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.94 133.1 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -86.4 125.82 33.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.593 HG12 HD23 ' A' ' 47' ' ' LEU . 18.5 m -133.32 151.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.37 0.605 . . . . 0.0 112.184 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CE2' HG22 ' A' ' 48' ' ' VAL . 48.5 m-85 -101.13 135.72 42.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.089 171.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.775 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 mt -94.63 115.28 33.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.591 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 58.3 mt -74.83 -48.18 26.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.558 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -142.44 122.58 13.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.986 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.557 ' HB3' HG21 ' A' ' 33' ' ' ILE . 6.6 p-10 -126.55 12.53 7.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.818 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -109.66 -55.08 2.48 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.775 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -74.17 -48.47 29.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -95.13 102.48 14.29 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.879 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -98.71 -25.46 14.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.66 ' HB2' HD11 ' B' ' 73' ' ' LEU . 4.9 m-20 -84.9 -41.27 16.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.965 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -124.65 122.35 37.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.206 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -95.49 142.48 27.79 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.879 0.371 . . . . 0.0 110.624 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.482 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -86.07 102.78 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.5 m -109.37 144.36 37.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 63.9 tt0 -120.39 126.55 50.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.803 178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.686 HD21 HG22 ' A' ' 25' ' ' ILE . 95.0 mt -68.34 136.33 53.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.118 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.527 HG22 ' CE2' ' A' ' 32' ' ' TYR . 72.9 t -76.14 -23.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.456 0.646 . . . . 0.0 109.455 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.85 -71.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.632 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 p -97.83 -26.35 14.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.876 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.33 6.04 58.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.165 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -78.63 143.76 36.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.697 0.284 . . . . 0.0 110.337 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 21.6 p -120.01 156.02 31.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.912 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.654 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -172.35 176.86 45.23 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.721 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.55 131.84 36.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.681 0.277 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.541 HG11 HD13 ' A' ' 25' ' ' ILE . 33.9 m -136.91 156.24 75.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.333 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HB3' HG21 ' B' ' 70' ' ' VAL . 11.5 Cg_endo -56.42 133.21 56.6 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.957 2.438 . . . . 0.0 112.797 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.96 61.56 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -173.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 7.1 pt20 -72.74 12.01 0.57 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -171.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.445 ' HB3' HG23 ' A' ' 11' ' ' VAL . 3.0 m-85 -96.15 -14.8 22.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.572 0.225 . . . . 0.0 110.698 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.99 126.01 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.122 0.487 . . . . 0.0 111.843 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -112.57 108.98 53.76 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.521 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.1 136.66 70.48 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.922 2.415 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.123 0.487 . . . . 0.0 111.286 -177.221 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.603 ' SD ' ' HD2' ' B' ' 63' ' ' LYS . 16.3 ptt? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.763 0.792 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 79.7 mt-30 -105.13 130.26 53.35 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.008 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 pt -127.13 151.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.547 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -101.56 105.52 16.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.314 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -87.88 98.14 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.16 0.505 . . . . 0.0 110.148 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 24.6 ttmm -87.98 112.57 22.72 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.86 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.582 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 49.7 p -71.21 172.83 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.021 0.438 . . . . 0.0 111.549 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.504 HD12 HG13 ' B' ' 70' ' ' VAL . 9.3 tt -63.2 -36.14 82.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.943 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -78.23 -30.47 48.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.505 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.41 -37.25 1.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.692 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -48.1 115.24 1.12 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.022 0.439 . . . . 0.0 111.423 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 14.4 m -103.6 113.16 26.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.406 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.05 130.87 49.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.695 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -85.85 113.77 22.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.64 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' B' ' 2' ' ' GLN . 3.2 mm? -105.93 136.25 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 111.613 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.92 101.4 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.306 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.42 HG11 HG22 ' B' ' 26' ' ' VAL . 27.2 m -139.03 143.94 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.984 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -82.18 167.6 18.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 111.228 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -64.63 -30.23 71.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.278 0.561 . . . . 0.0 110.605 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -90.34 9.88 27.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.199 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.01 141.22 36.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.469 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.6 p -86.98 151.8 22.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.974 -176.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.1 mm -56.48 -35.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.749 ' HA ' ' HG2' ' B' ' 27' ' ' LYS . 20.5 t70 -69.73 -35.98 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.543 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 3.8 t-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.709 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.491 HG21 HD11 ' B' ' 56' ' ' LEU . 58.6 t -63.11 -51.97 64.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.159 173.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.749 ' HG2' ' HA ' ' B' ' 24' ' ' ASP . 19.7 ptpt -63.33 -29.13 70.49 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.536 ' HA ' ' CD ' ' B' ' 31' ' ' GLN . 28.9 t -66.9 -38.37 86.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.462 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.6 mttp -64.02 -32.89 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 27' ' ' LYS . 59.0 mt -69.02 -39.47 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.403 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.674 ' NE2' ' HG3' ' B' ' 38' ' ' PRO . 8.8 mt-30 -65.65 -27.73 68.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.181 0.515 . . . . 0.0 110.09 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.57 -33.57 76.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.011 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.64 -64.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.294 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -172.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 49.51 4.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.708 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 58.4 mt -106.8 131.49 21.66 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 24.8 Cg_exo -37.37 121.44 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.751 2.967 . . . . 0.0 113.202 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.674 ' HG3' ' NE2' ' B' ' 31' ' ' GLN . 52.9 Cg_exo -56.01 -46.4 31.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.999 2.466 . . . . 0.0 113.298 -176.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.7 -25.51 67.46 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -82.68 -28.99 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.973 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.708 ' NE2' ' HB ' ' B' ' 36' ' ' ILE . 98.4 mt-30 -79.59 109.62 14.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 111.399 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.735 ' HG3' ' HD3' ' B' ' 72' ' ' ARG . 3.4 mmp_? -112.98 122.11 46.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' B' ' 50' ' ' LEU . 96.6 mt -91.88 127.93 37.53 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.29 125.46 61.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.469 ' HB3' HD21 ' B' ' 50' ' ' LEU . 73.0 t80 -121.35 109.68 15.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.327 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.42 19.79 9.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.038 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 14' ' ' ASP . . . 110.58 -17.34 28.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.636 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -87.54 123.06 32.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.62 115.69 20.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.326 0.584 . . . . 0.0 109.561 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.551 HD22 ' CG ' ' B' ' 59' ' ' TYR . 13.8 mt -81.72 129.0 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.556 -174.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HA ' ' NH2' ' B' ' 42' ' ' ARG . 30.6 mt-10 -100.16 -179.75 4.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.203 0.525 . . . . 0.0 110.978 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.59 151.39 24.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.895 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.04 -45.07 1.37 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.619 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -82.89 169.06 16.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 0.0 111.22 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.2 p -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.491 HD11 HG21 ' B' ' 26' ' ' VAL . 10.5 mp -65.73 -32.5 74.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.543 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.7 m -65.95 -38.35 88.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.576 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.28 -35.98 82.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.781 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.551 ' CG ' HD22 ' B' ' 50' ' ' LEU . 63.3 m-85 -94.8 -0.84 53.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 61.44 41.01 13.29 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.9 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.443 HD12 ' HG ' ' B' ' 56' ' ' LEU . 79.7 mt -71.56 117.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.901 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.76 172.07 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.046 -172.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.603 ' HD2' ' SD ' ' B' ' 1' ' ' MET . 12.7 mmmm -59.86 134.51 57.1 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.679 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 60.95 26.53 16.45 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.654 0.597 . . . . 0.0 111.409 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -71.73 158.21 36.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.146 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.5 m -112.76 104.69 12.72 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.168 0.509 . . . . 0.0 110.414 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.18 145.08 27.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.395 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -107.01 114.81 29.11 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.582 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 65.8 tp -92.31 113.88 26.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.12 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.504 HG13 HD12 ' B' ' 8' ' ' LEU . 47.9 t -116.21 129.87 71.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.68 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.05 145.19 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.735 ' HD3' ' HG3' ' B' ' 42' ' ' ARG . 26.4 mmm180 -80.06 -9.1 59.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.312 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.66 HD11 ' HB2' ' A' ' 41' ' ' ASP . 84.1 mt . . . . . 0 N--CA 1.471 0.578 0 C-N-CA 123.161 0.584 . . . . 0.0 112.504 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.709 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 97.5 mttt . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -125.58 144.99 50.32 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.25 175.55 33.91 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.346 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -126.55 130.23 71.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' A' ' 25' ' ' ILE . 2.4 p -79.85 124.87 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.01 0.434 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -98.98 -25.95 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.166 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' HB2' ' CG ' ' A' ' 60' ' ' PHE . 97.6 m-85 -115.77 144.87 43.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 0.0 110.51 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -79.0 142.66 36.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.53 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 88.4 t80 -148.11 135.0 20.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.747 0.308 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.627 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.8 ptp -107.81 127.97 54.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.918 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -89.99 144.0 26.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.279 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -102.03 -20.32 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -115.63 165.69 12.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.65 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -75.18 -24.67 57.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -81.94 -12.05 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 110.537 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 53.8 mt-10 -96.67 151.99 19.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.405 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.648 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 55.8 tp -117.52 128.02 54.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 111.473 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 16' ' ' MET . 86.4 m -77.57 115.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.944 173.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.53 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 10.8 pt -110.2 157.3 10.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.309 0.576 . . . . 0.0 111.62 -175.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -130.87 131.07 44.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.385 -175.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -57.16 124.85 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.853 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.78 -9.07 43.72 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.97 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.42 155.08 24.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -92.49 130.18 38.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.347 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 HD23 ' A' ' 47' ' ' LEU . 35.3 m -127.48 150.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.308 0.575 . . . . 0.0 112.003 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -95.63 140.29 30.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.234 168.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 46.4 mt -105.46 113.33 42.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.4 mm? -94.07 -77.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.572 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 4.5 m-20 -102.04 95.0 6.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.279 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 9.2 p-10 -105.81 -36.32 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.809 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.14 2.81 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.104 0.478 . . . . 0.0 110.825 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 28.5 mmtp -78.03 -48.64 15.68 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.6 m -125.44 171.3 10.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -111.69 15.35 21.04 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.826 ' HA ' HD22 ' B' ' 8' ' ' LEU . 1.1 p-10 -140.7 -71.46 0.37 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.549 -165.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -108.66 124.63 50.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -105.07 150.4 25.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.201 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.572 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 34.0 mtp -87.34 119.7 27.88 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.9 p -132.43 162.35 31.37 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.777 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -133.03 127.04 33.23 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.853 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.646 HD23 HG12 ' A' ' 31' ' ' VAL . 73.5 mt -63.05 118.36 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.88 -43.03 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.72 -11.81 58.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -171.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 p -119.82 -38.22 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.875 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 6.35 56.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.083 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HE3' HD12 ' A' ' 47' ' ' LEU . 58.7 mtmt -84.55 124.73 31.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.799 0.333 . . . . 0.0 110.644 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 5.6 p -114.89 157.57 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.566 -175.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.648 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 174.06 -178.85 45.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.079 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.6 mt -89.07 134.87 33.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.696 0.284 . . . . 0.0 110.999 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.61 158.21 73.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HB3' HG21 ' B' ' 70' ' ' VAL . 25.6 Cg_exo -63.76 127.21 19.08 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.746 2.297 . . . . 0.0 112.15 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.78 -33.25 64.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.427 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.47 0.38 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.085 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.673 ' HZ ' HG21 ' B' ' 44' ' ' ILE . 7.3 m-30 -107.61 -7.72 16.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.631 0.253 . . . . 0.0 111.421 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 31' ' ' VAL . 50.9 mm -110.23 126.85 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 0.0 111.574 -174.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -104.66 105.89 52.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.762 172.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -71.67 130.13 16.59 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 111.921 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 121.655 0.74 . . . . 0.0 110.916 -176.454 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.407 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 21.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.289 0.566 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.54 147.33 47.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.42 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.5 pt -132.36 136.77 55.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.468 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 53.9 m-85 -90.45 95.68 10.29 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.5 t -80.31 100.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.765 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.5 ttmt -97.3 106.03 18.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.802 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.699 HG22 HD23 ' B' ' 69' ' ' LEU . 43.7 p -79.26 160.66 26.75 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.234 -176.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 41' ' ' ASP . 1.1 pp -67.72 -10.42 52.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.833 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.19 -13.42 59.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.335 177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.0 14.85 38.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.065 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.99 115.61 30.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.686 0.279 . . . . 0.0 110.838 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 15.0 m -102.27 93.47 5.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -100.73 124.23 54.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.58 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -80.1 112.21 17.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.032 0.444 . . . . 0.0 110.141 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -98.2 133.61 42.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.33 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.4 107.46 15.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.75 176.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.85 -175.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.469 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 9.2 tp10 -123.49 156.38 35.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -61.44 -42.79 99.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.304 0.573 . . . . 0.0 109.711 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -88.16 20.8 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.786 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 17.9 t0 -91.05 134.83 34.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.469 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.5 p -74.2 148.66 41.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.651 HG22 ' HE3' ' B' ' 27' ' ' LYS . 31.0 mm -55.18 -42.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.276 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -42.9 84.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.514 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -68.08 -38.58 82.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 22' ' ' THR . 49.1 t -60.53 -44.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.07 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.662 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 95.1 mttt -59.37 -36.78 76.38 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -29.91 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.878 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.43 -24.73 60.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.98 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 26' ' ' VAL . 24.1 mm -71.93 -44.02 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.56 -33.96 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.248 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.89 -32.73 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.631 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -110.48 -63.53 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.854 -173.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -75.36 -22.78 57.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.261 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 45.1 26.95 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.128 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.794 HD13 HD21 ' B' ' 71' ' ' LEU . 66.4 mt -111.38 134.36 21.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 55.6 Cg_exo -52.93 121.28 9.03 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.664 2.243 . . . . 0.0 111.632 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.662 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 49.9 Cg_exo -56.4 -43.55 54.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.126 2.551 . . . . 0.0 113.248 -175.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.58 -2.15 31.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 0.0 111.475 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -95.26 -9.73 32.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.346 0.594 . . . . 0.0 109.748 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.551 ' HB3' HD11 ' B' ' 69' ' ' LEU . 47.2 mt-30 -99.19 144.04 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.236 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.418 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 98.8 mtt180 -131.89 124.56 29.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.251 173.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.34 126.58 41.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.025 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.673 HG21 ' HZ ' ' A' ' 60' ' ' PHE . 54.5 mt -117.27 126.2 74.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.954 0.407 . . . . 0.0 110.632 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -129.53 109.65 11.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.293 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.72 22.74 13.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.723 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.5 -15.74 49.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.033 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -82.54 111.86 18.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.679 0.276 . . . . 0.0 110.369 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.418 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 22.8 tt0 -80.92 113.38 19.09 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.582 HD13 HD12 ' B' ' 23' ' ' ILE . 49.1 mt -69.3 123.6 21.62 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.95 -85.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.501 -173.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -179.07 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.57 0.224 . . . . 0.0 110.71 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.41 39.39 3.1 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.342 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.471 ' O ' HG12 ' B' ' 23' ' ' ILE . 3.5 mmp_? -133.45 168.82 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -103.71 172.19 6.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.1 -22.9 62.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.05 0.452 . . . . 0.0 110.488 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.0 m -67.24 -31.53 71.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.96 176.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.64 -43.54 84.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.606 -176.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -85.31 -2.41 58.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.208 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 59.92 59.17 2.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.406 HD11 HD21 ' B' ' 50' ' ' LEU . 67.9 mt -92.93 127.78 44.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -68.09 145.82 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.421 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 22.4 pttp -76.15 160.25 29.92 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.373 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.421 ' HG2' ' HG3' ' B' ' 63' ' ' LYS . 4.4 mm-40 58.54 36.99 25.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.38 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -103.19 157.41 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.297 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 27.1 m -101.88 112.56 25.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.793 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.25 148.88 24.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -95.58 123.41 39.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.699 HD23 HG22 ' B' ' 7' ' ' THR . 42.4 tp -95.36 119.84 34.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.573 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 57' ' ' PRO . 78.6 t -118.34 116.47 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.039 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.794 HD21 HD13 ' B' ' 36' ' ' ILE . 10.7 mp -81.66 143.8 31.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.335 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -86.74 -25.53 24.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.358 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.464 0.233 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.871 -176.762 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.604 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 95.4 mttt . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.922 0.391 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -117.91 147.57 43.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -146.65 157.8 27.52 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.699 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.573 HG13 HG22 ' A' ' 64' ' ' VAL . 87.0 mt -112.09 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 11' ' ' VAL . 1.4 p -69.07 127.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.035 0.445 . . . . 0.0 110.648 178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -85.51 -54.83 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.286 -176.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 95.2 m-85 -93.09 142.78 26.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.03 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.685 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 13.7 t70 -77.4 118.31 19.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 82.5 t80 -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 111.541 -173.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.442 ' HA ' HG23 ' A' ' 24' ' ' THR . 81.9 mtp -97.74 135.98 38.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.869 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -94.75 155.27 16.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.128 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -114.23 -42.84 3.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.655 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -104.13 167.82 9.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -72.45 -19.01 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.197 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.61 -30.56 67.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.543 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 30.4 mt-10 -88.8 178.4 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.63 -175.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD21 ' HG ' ' A' ' 47' ' ' LEU . 68.8 tp -137.83 130.66 29.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.815 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.442 HG23 ' HA ' ' A' ' 16' ' ' MET . 19.5 m -77.8 107.59 10.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.923 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.558 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 12.8 pt -111.24 122.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 110.869 -176.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -77.91 143.9 37.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.174 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.676 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 48.4 t -61.15 115.66 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.939 0.4 . . . . 0.0 110.592 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.19 6.47 61.53 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.742 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.65 -179.45 6.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.924 0.362 . . . . 0.0 110.65 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -113.65 120.93 42.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.667 HG21 HD12 ' A' ' 61' ' ' ILE . 29.7 m -125.58 144.5 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.245 0.545 . . . . 0.0 111.921 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.477 ' CE2' HG22 ' A' ' 48' ' ' VAL . 53.4 m-85 -92.96 130.58 38.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.362 170.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.604 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 55.5 mt -89.49 98.82 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -72.57 -64.34 0.98 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.174 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -119.39 123.27 43.72 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.864 0.364 . . . . 0.0 110.516 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.41 15.55 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.057 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -109.56 -42.78 4.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -170.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.95 -28.64 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 111.109 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -135.23 164.88 26.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.385 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.94 4.6 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.538 0.685 . . . . 0.0 109.775 173.85 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.23 -52.62 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.562 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -117.19 112.39 20.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.198 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.458 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 37.4 m0 -100.77 165.16 11.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.553 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.1 mtp -99.17 106.33 18.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.473 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 99.5 m -117.63 157.96 25.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.784 0.326 . . . . 0.0 110.775 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 35.2 tt0 -133.04 128.35 36.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.688 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 31' ' ' VAL . 92.3 mt -67.17 125.91 27.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.921 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.477 HG22 ' CE2' ' A' ' 32' ' ' TYR . 61.8 t -64.39 -54.25 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 -175.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -72.74 -33.35 66.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.7 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.9 t -83.58 -48.84 9.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.044 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.7 53.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.248 -177.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.49 130.65 42.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.549 0.214 . . . . 0.0 110.609 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.43 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 6.0 p -115.73 144.12 44.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.903 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.64 43.23 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 95.9 mt -84.94 133.97 34.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.88 155.75 72.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.64 126.76 22.85 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.953 2.435 . . . . 0.0 112.32 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.388 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.525 HE22 HG22 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -78.46 -10.17 59.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.369 -177.058 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 13' ' ' TYR . 2.8 m-30 -90.16 -12.81 37.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 31' ' ' VAL . 45.8 mm -108.09 122.04 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -111.26 107.2 57.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 46.3 Cg_exo -55.96 141.21 86.44 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.01 2.473 . . . . 0.0 112.85 -176.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 10' ' ' ILE . 9.1 t . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.528 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.3 ptt? . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.267 0.556 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -129.43 141.56 51.01 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.721 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -129.9 164.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -111.72 107.08 16.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.599 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -92.04 93.86 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.258 0.551 . . . . 0.0 109.832 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 24.5 ttmm -91.53 108.55 19.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.989 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.59 HG22 HD23 ' B' ' 69' ' ' LEU . 46.9 p -73.04 167.83 20.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.298 0.571 . . . . 0.0 111.765 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.97 -29.69 70.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.589 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -79.92 3.11 20.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.082 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.73 20.91 58.9 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.986 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -103.12 112.85 25.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -90.38 101.28 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.574 . . . . 0.0 110.659 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.599 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 63.1 mt -89.13 120.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.1 m -87.89 111.87 21.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.655 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -119.55 128.46 53.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.307 -173.623 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.61 112.75 24.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.353 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.655 HG13 HD12 ' B' ' 15' ' ' LEU . 12.9 m -140.45 151.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.911 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.611 ' O ' HD12 ' B' ' 56' ' ' LEU . 40.6 mt-10 -66.22 150.45 48.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -177.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 m -67.78 -17.08 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.141 0.496 . . . . 0.0 110.509 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -110.13 17.61 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.229 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -75.03 169.06 18.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.299 -177.273 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.541 ' O ' HG23 ' B' ' 26' ' ' VAL . 60.5 p -100.35 149.32 23.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.511 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.432 HD13 HD23 ' B' ' 56' ' ' LEU . 34.7 mm -59.88 -32.43 49.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.302 0.572 . . . . 0.0 110.107 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.679 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 25.4 t70 -62.32 -46.69 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.857 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -63.48 -41.18 98.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.445 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.564 HG22 HG11 ' B' ' 17' ' ' VAL . 15.9 t -60.95 -46.68 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.76 -42.66 89.4 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.11 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -65.67 -34.63 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.431 -177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.98 -43.52 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.714 0.292 . . . . 0.0 110.781 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.448 HD11 HG21 ' B' ' 5' ' ' VAL . 71.2 mt -66.1 -34.7 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 0.0 109.863 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.02 -47.13 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.966 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.47 -29.13 65.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.092 0.472 . . . . 0.0 111.179 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -80.7 -60.51 2.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.653 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.27 -7.69 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.837 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 32.57 66.2 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.971 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.491 HG22 ' HG3' ' B' ' 41' ' ' GLN . 61.2 mt -103.27 120.36 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.66 0.266 . . . . 0.0 110.34 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 39.2 Cg_exo -60.74 137.75 75.01 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.86 2.373 . . . . 0.0 112.5 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 39.2 Cg_exo -61.34 -23.6 77.18 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.018 2.479 . . . . 0.0 112.007 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.73 -29.39 69.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.211 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 36.4 tt0 -96.34 -34.08 11.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.797 -175.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.491 ' HG3' HG22 ' B' ' 36' ' ' ILE . 34.9 mt-30 -62.06 117.0 5.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.181 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -118.0 98.67 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.606 HD23 HD13 ' B' ' 69' ' ' LEU . 94.0 mt -77.88 112.83 15.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.35 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mt -99.58 106.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.211 0.529 . . . . 0.0 111.129 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -108.87 118.44 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.453 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.93 29.43 18.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.941 0.401 . . . . 0.0 110.959 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.685 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 82.13 14.74 76.28 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.648 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -119.19 125.34 48.97 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -79.59 119.37 22.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.139 0.495 . . . . 0.0 111.043 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' B' ' 59' ' ' TYR . 23.5 mt -93.51 137.86 32.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.154 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -127.04 170.43 12.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.679 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -67.77 167.24 13.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.252 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.71 -43.48 2.75 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -79.57 156.9 27.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 110.454 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 32.3 p -102.71 164.85 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.611 HD12 ' O ' ' B' ' 18' ' ' GLU . 70.7 mt -63.95 -27.37 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.586 177.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 28.5 t -74.65 -26.09 59.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.117 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.93 -30.64 65.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -175.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.461 ' CD2' HD22 ' B' ' 50' ' ' LEU . 71.7 m-85 -95.15 7.98 44.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 59.87 39.54 20.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.49 129.01 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.945 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -101.31 -174.77 2.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.194 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 34.2 mmtp -67.02 147.87 52.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.299 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 42.95 43.52 3.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.237 1.015 . . . . 0.0 113.439 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -86.12 146.47 26.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.984 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -98.7 103.7 15.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.234 0.54 . . . . 0.0 111.095 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.52 150.23 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.735 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.539 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 62.5 m-70 -103.82 117.7 34.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.606 HD13 HD23 ' B' ' 43' ' ' LEU . 57.5 tp -88.28 100.84 13.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.231 0.538 . . . . 0.0 110.445 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.525 HG22 HE22 ' A' ' 59' ' ' GLN . 59.9 t -95.18 136.63 25.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.57 130.36 43.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.263 0.554 . . . . 0.0 111.187 -173.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 62.7 ttt180 -68.12 123.61 21.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.671 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.425 ' HG ' ' H ' ' B' ' 73' ' ' LEU . 1.8 pp . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.815 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -111.13 145.71 38.13 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.2 147.04 18.96 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.462 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.473 HG13 HG22 ' A' ' 64' ' ' VAL . 75.7 mt -111.69 107.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 25' ' ' ILE . 3.2 p -71.3 128.89 34.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.132 0.492 . . . . 0.0 110.78 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -95.84 -17.22 21.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.793 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 60' ' ' PHE . 94.9 m-85 -110.73 175.75 5.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.367 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -113.39 115.74 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 86.7 t80 -124.2 104.61 8.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.061 0.458 . . . . 0.0 110.668 -177.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.651 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.8 mpp? -88.11 116.08 26.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.736 175.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -65.44 135.45 55.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.817 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -94.89 -42.89 8.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -97.79 168.58 10.23 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.136 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -77.81 -20.09 53.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.25 -12.94 57.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.091 0.472 . . . . 0.0 110.862 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 41.8 mt-10 -91.35 161.78 14.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 37.8 tp -118.59 126.66 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 0.0 110.779 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.651 HG23 ' HA ' ' A' ' 16' ' ' MET . 30.7 m -75.2 111.62 10.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 11' ' ' VAL . 12.5 pt -122.96 132.69 70.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.494 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 1.7 mppt? -109.85 147.58 33.07 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 p -52.71 118.47 3.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 0.0 111.619 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.65 30.83 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.732 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -67.43 131.88 46.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.015 0.436 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HB3' HG11 ' A' ' 48' ' ' VAL . 3.4 tppt? -82.77 124.34 30.17 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 171.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 HD23 ' A' ' 47' ' ' LEU . 16.2 m -124.81 144.11 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.1 0.476 . . . . 0.0 111.346 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.6 112.16 23.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.05 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.646 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 41.5 mt -82.95 104.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.971 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.84 -50.28 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.609 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.541 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 12.1 t70 -117.21 116.95 28.27 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.7 p-10 -131.85 2.18 4.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.315 1.01 . . . . 0.0 110.672 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -114.18 -37.89 4.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -75.67 -31.18 59.65 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.195 -174.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -113.84 152.89 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -125.1 11.98 8.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.95 -52.82 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.947 -175.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -124.62 121.39 34.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.053 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -102.44 163.74 12.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.747 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.541 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 33.1 mtp -101.94 112.79 25.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.538 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 88.5 m -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.073 0.463 . . . . 0.0 111.058 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 59.1 tt0 -117.55 128.7 55.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.711 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.54 HD23 HG12 ' A' ' 31' ' ' VAL . 96.4 mt -67.75 116.27 8.25 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 30' ' ' LYS . 10.3 p -67.2 -30.38 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.866 0.841 . . . . 0.0 110.04 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.79 -42.15 41.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.806 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 m -95.46 -39.39 10.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.94 48.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.01 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -87.78 147.43 25.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.5 m -112.56 147.1 37.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.832 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -162.25 177.85 38.27 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.508 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.35 134.15 34.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.6 m -136.27 151.0 72.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.14 124.48 14.93 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.872 2.381 . . . . 0.0 112.062 176.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.88 -36.08 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.726 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.67 -28.56 68.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.531 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.438 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 5.0 m-30 -84.29 -20.46 32.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 111.358 -172.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.8 mm -92.57 127.6 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -176.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -102.54 106.5 49.63 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.79 131.12 31.85 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.754 2.303 . . . . 0.0 112.491 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.473 HG22 HG13 ' A' ' 10' ' ' ILE . 14.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 122.051 0.929 . . . . 0.0 109.857 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.475 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 14.4 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.158 0.504 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.48 141.66 48.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.041 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.81 162.39 35.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.32 106.58 14.77 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.643 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.0 p -92.68 104.59 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.781 0.801 . . . . 0.0 110.086 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 52.1 tttm -99.98 112.87 25.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.412 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.586 HG22 HD23 ' B' ' 69' ' ' LEU . 68.8 p -69.82 169.12 13.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.136 0.493 . . . . 0.0 111.243 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.443 HD23 HG13 ' B' ' 70' ' ' VAL . 1.3 pp -72.48 -12.22 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.699 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -89.19 -19.52 25.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.332 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.32 9.45 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.655 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -94.51 103.2 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.928 0.394 . . . . 0.0 109.948 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 25.7 m -95.4 107.28 19.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.643 ' HB ' HG13 ' B' ' 5' ' ' VAL . 35.3 mt -97.8 130.0 47.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.3 m -82.26 111.03 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -114.46 121.57 43.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.668 -174.681 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -94.86 111.05 22.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.239 0.542 . . . . 0.0 110.365 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.616 HG11 HG22 ' B' ' 26' ' ' VAL . 2.8 m -141.81 140.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.696 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.405 ' O ' HD12 ' B' ' 56' ' ' LEU . 36.5 mm-40 -87.26 161.74 17.82 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -175.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -60.18 -22.46 62.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.125 0.488 . . . . 0.0 111.264 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.0 p -91.18 -5.56 54.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.758 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.05 152.42 27.89 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.27 0.557 . . . . 0.0 111.003 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.4 p -86.37 163.08 17.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.706 -178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.433 HG13 ' HE2' ' B' ' 59' ' ' TYR . 47.4 mm -65.24 -29.62 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.04 -48.86 77.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.463 174.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.857 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.616 HG22 HG11 ' B' ' 17' ' ' VAL . 9.0 t -60.48 -46.85 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.426 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 89.6 mttt -59.24 -39.09 81.68 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.921 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.4 m -61.64 -41.88 98.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.734 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.536 ' HB2' HD11 ' B' ' 15' ' ' LEU . 98.6 mttt -71.67 -29.89 65.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.996 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 26' ' ' VAL . 71.9 mt -72.59 -37.7 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.054 0.454 . . . . 0.0 109.956 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -63.74 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.408 0.623 . . . . 0.0 109.53 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.82 -32.98 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.684 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -77.69 -69.45 0.54 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.661 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -92.35 -21.54 20.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.78 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.07 41.42 7.54 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.611 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.16 127.42 28.34 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.6 Cg_endo -56.89 127.14 24.63 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.619 2.212 . . . . 0.0 111.964 177.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 48.9 Cg_exo -57.89 -33.33 96.91 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.267 2.644 . . . . 0.0 112.321 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.36 -35.29 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.61 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -87.52 -18.39 29.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.208 -173.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 65.3 mt-30 -78.88 116.91 19.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.747 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -118.65 108.49 14.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.416 ' N ' HD12 ' B' ' 43' ' ' LEU . 5.9 mp -89.52 108.26 19.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 -174.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.658 HG12 ' HG2' ' B' ' 49' ' ' GLN . 62.8 mt -99.41 117.62 44.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.098 0.475 . . . . 0.0 110.378 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 76.0 t80 -126.59 110.89 13.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.548 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 37.58 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.852 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.78 -8.83 79.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.834 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -98.13 125.26 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.913 0.387 . . . . 0.0 110.458 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.658 ' HG2' HG12 ' B' ' 44' ' ' ILE . 50.0 mt-30 -94.8 113.46 25.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.125 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.82 126.55 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.639 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -123.67 167.84 13.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.999 0.428 . . . . 0.0 110.731 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -70.08 152.12 44.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.0 7.03 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -101.28 164.75 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 60.9 p -105.56 179.91 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.405 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -68.27 -23.22 64.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 109.827 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -75.64 -37.13 59.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.237 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.72 -45.96 85.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.432 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.433 ' HE2' HG13 ' B' ' 23' ' ' ILE . 72.0 m-85 -86.49 -13.93 44.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 64.89 68.5 0.51 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.246 0.546 . . . . 0.0 110.791 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -103.71 145.42 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.583 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -106.0 166.89 10.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.795 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.475 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 20.1 pttp -80.72 155.8 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 60.1 29.35 18.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.969 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.482 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 19.4 p -89.36 156.65 18.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.403 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.1 m -106.16 103.21 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 111.218 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.435 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.1 mp -89.64 153.08 21.02 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 79.8 m-70 -112.03 116.52 30.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.586 HD23 HG22 ' B' ' 7' ' ' THR . 43.2 tp -86.62 107.86 18.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 0.0 110.602 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.479 HG21 HD12 ' B' ' 44' ' ' ILE . 57.8 t -106.0 122.14 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt -89.63 147.89 23.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.905 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -88.77 -10.73 47.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.131 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 CA--C 1.532 0.274 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.674 177.055 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.703 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 68.0 mttm . . . . . 0 CA--C 1.518 -0.285 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -106.71 134.86 49.22 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.99 137.3 9.14 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.547 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.421 HG13 ' CG2' ' A' ' 64' ' ' VAL . 63.8 mt -111.68 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 11' ' ' VAL . 2.7 p -69.59 126.86 30.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.287 0.565 . . . . 0.0 111.031 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -85.46 -53.6 5.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.973 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-85 -85.08 -169.62 2.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -105.45 144.1 32.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 72.0 t80 -140.82 124.48 16.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 176.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.9 mmt -106.69 128.92 54.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.22 119.56 19.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -90.75 -33.16 15.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.906 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 t -112.15 169.42 8.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -75.72 -13.27 60.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.221 0.534 . . . . 0.0 110.373 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -72.33 -37.65 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.039 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 4.7 mp0 -78.79 -178.3 5.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.448 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.616 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 34.3 tp -140.66 129.85 23.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.295 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 m -73.25 107.91 5.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.241 0.543 . . . . 0.0 110.803 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 20.8 pt -122.15 120.87 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.02 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.2 154.08 18.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.279 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.0 t -57.83 115.91 3.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.6 1.54 29.14 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.305 -176.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.48 171.65 14.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.021 0.439 . . . . 0.0 110.549 177.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.7 tttt -130.37 116.5 18.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.312 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.641 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 16.0 m -128.17 144.3 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.361 -174.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CE2' HG22 ' A' ' 48' ' ' VAL . 56.2 m-85 -95.06 135.2 36.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.385 170.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 48.7 mt -93.0 111.61 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.3 mt -81.9 -54.39 5.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.336 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.932 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.9 m-20 -120.63 106.43 11.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.59 -20.45 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.951 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.96 18.81 14.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.195 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.932 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 53.2 tttm -62.28 -45.6 92.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -125.0 -81.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.092 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -175.79 -54.67 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.921 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -97.21 -48.15 5.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.082 0.468 . . . . 0.0 110.202 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -71.96 109.61 5.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.202 0.525 . . . . 0.0 110.571 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 49.6 m0 -108.5 158.12 17.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.281 -176.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.424 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 41.1 mtp -98.52 100.4 11.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.641 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.5 p -99.62 150.62 22.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 52.0 tt0 -127.54 125.22 39.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.105 178.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.558 ' HG ' HD21 ' A' ' 23' ' ' LEU . 82.7 mt -66.14 127.89 33.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.275 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 30' ' ' LYS . 38.9 t -63.48 -31.18 51.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.743 -174.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.64 -63.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -109.93 -13.59 14.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 111.634 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.486 ' HA2' HE21 ' A' ' 46' ' ' GLN . . . 87.19 35.35 9.73 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.0 -177.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HB2' HD12 ' A' ' 47' ' ' LEU . 66.3 mttm -87.17 120.0 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -111.56 150.52 29.9 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.798 0.332 . . . . 0.0 110.955 -176.085 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.616 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -168.96 169.19 41.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.898 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.2 mm? -82.17 128.48 34.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.839 0.352 . . . . 0.0 110.773 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.23 149.62 61.5 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.01 139.63 80.09 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.272 2.648 . . . . 0.0 113.366 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.47 62.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.625 0.726 . . . . 0.0 109.262 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -63.22 -16.54 60.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.73 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.43 ' HD1' ' CD1' ' A' ' 13' ' ' TYR . 22.0 m-85 -114.65 -15.17 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.536 -177.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -175.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -92.24 113.0 57.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.58 120.9 8.78 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.577 2.185 . . . . 0.0 111.102 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.421 ' CG2' HG13 ' A' ' 10' ' ' ILE . 48.9 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -176.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.688 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.087 0.47 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -116.5 146.73 42.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.554 ' HB ' HD13 ' B' ' 67' ' ' LEU . 26.1 pt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 173.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -88.97 94.65 10.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.107 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.51 100.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.488 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -89.73 108.59 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.924 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.564 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.5 p -75.81 167.99 20.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.202 -173.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 8' ' ' LEU . 4.5 tt -58.86 -33.7 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.552 174.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -76.1 -3.45 36.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.759 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.48 25.17 40.17 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.654 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -99.57 129.86 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -96.0 90.38 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.098 0.475 . . . . 0.0 109.841 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 mm -95.04 108.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.248 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -76.16 111.72 11.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.429 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.0 129.7 43.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -90.69 100.89 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.321 0.581 . . . . 0.0 109.452 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.47 163.52 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.885 -176.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -113.04 161.88 16.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -68.38 -18.06 64.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -94.08 -2.88 52.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.67 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.7 158.21 28.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.741 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 22.3 p -92.81 161.89 14.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.647 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -62.69 -30.13 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.66 -49.35 75.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.967 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.501 ' O ' HG13 ' B' ' 30' ' ' ILE . 19.3 t -60.65 -46.11 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 83.9 mttt -58.95 -41.44 87.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -67.22 -36.81 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.739 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -64.91 -40.58 95.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.015 0.435 . . . . 0.0 110.674 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 26' ' ' VAL . 52.7 mt -69.26 -36.97 75.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.086 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.3 tt0 -68.17 -31.62 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.137 0.494 . . . . 0.0 110.501 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.78 -41.57 83.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -87.12 -49.5 7.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.28 -48.85 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.444 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 99.2 41.54 2.99 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.613 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.542 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 49.9 mt -112.42 135.85 21.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.7 Cg_endo -53.17 128.67 30.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.905 2.403 . . . . 0.0 112.502 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.7 Cg_exo -58.73 -37.69 92.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.29 2.66 . . . . 0.0 113.611 -174.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.9 -30.13 68.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 0.0 110.431 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -79.82 -34.82 39.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.061 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.542 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 26.9 mt-30 -68.09 99.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 177.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -112.12 108.8 18.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.354 0.597 . . . . 0.0 110.427 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 85.4 mt -78.97 146.93 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.325 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -130.61 120.67 48.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -107.67 103.53 12.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.536 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.04 17.37 6.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.573 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.99 -16.7 13.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.071 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.21 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -67.27 143.25 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.93 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 27.3 mt -115.32 103.55 10.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.725 0.298 . . . . 0.0 110.955 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.28 154.54 19.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.647 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.8 p-10 -78.17 164.68 24.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 177.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.98 -10.34 60.27 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.392 -174.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.603 ' HD2' ' OH ' ' B' ' 59' ' ' TYR . 50.4 mtt180 -126.63 173.05 9.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.741 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 52.1 p -103.08 176.09 5.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.698 0.285 . . . . 0.0 110.968 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.96 -29.68 70.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 110.046 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -71.78 -22.55 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -73.75 -6.71 48.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.303 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.603 ' OH ' ' HD2' ' B' ' 54' ' ' ARG . 93.0 m-85 -123.77 13.49 9.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -177.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 65.07 21.23 12.2 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.239 0.542 . . . . 0.0 111.025 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.75 133.84 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -108.86 -177.96 3.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.41 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.688 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 96.9 mttt -73.35 147.18 44.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.826 -175.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 63.41 28.92 15.6 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.132 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.1 m -78.52 152.07 32.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.746 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 84.8 m -104.29 124.31 48.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.183 175.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.554 HD13 ' HB ' ' B' ' 3' ' ' ILE . 6.8 mp -120.56 169.93 9.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.963 0.411 . . . . 0.0 110.652 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -122.06 138.65 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.004 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.564 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 58.3 tp -106.47 102.16 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.873 0.368 . . . . 0.0 110.366 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.6 t -102.59 129.75 53.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.5 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.23 127.86 34.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.145 0.498 . . . . 0.0 110.598 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -70.27 133.14 46.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.477 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 121.061 0.458 . . . . 0.0 110.803 179.005 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 46.8 mttm . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.401 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 84.3 mtm180 -135.59 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.884 0.373 . . . . 0.0 111.07 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.86 174.07 32.44 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.579 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.1 mt -127.99 129.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.427 HG21 HD12 ' A' ' 25' ' ' ILE . 2.5 p -87.01 127.15 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 0.0 111.006 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -102.46 -37.06 8.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.741 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.2 136.52 46.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.74 -176.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.45 138.94 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.185 177.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.449 ' HB3' HG12 ' A' ' 25' ' ' ILE . 82.2 t80 -140.88 139.48 34.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.002 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.409 ' HA ' HG23 ' A' ' 24' ' ' THR . 78.2 mtp -115.2 131.4 56.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.506 -176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.87 -39.78 10.06 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 m -102.77 158.68 16.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.326 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -70.06 -17.96 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 -177.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HB3' HD12 ' A' ' 55' ' ' LEU . 22.4 m-20 -74.65 -23.01 58.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.145 0.497 . . . . 0.0 110.371 177.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 42' ' ' TRP . 56.0 mt-10 -85.98 161.96 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.035 -173.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD21 ' HG ' ' A' ' 47' ' ' LEU . 55.2 tp -126.17 122.71 36.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.94 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 16' ' ' MET . 84.9 m -70.28 121.95 18.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.368 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 15' ' ' PHE . 16.6 pt -127.34 144.24 37.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.523 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -105.18 144.4 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.152 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -66.84 138.5 57.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.246 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.28 -0.04 61.67 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.876 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -91.23 158.13 16.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.192 0.52 . . . . 0.0 111.355 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 48' ' ' VAL . 12.6 mmmm -97.42 135.75 38.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.367 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.599 HG12 HD23 ' A' ' 47' ' ' LEU . 28.6 m -132.09 146.35 33.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.582 ' HB2' ' HB3' ' A' ' 46' ' ' GLN . 80.7 m-85 -91.17 154.78 19.09 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 36' ' ' ASP . 52.3 mt -115.22 121.37 67.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 121.094 0.473 . . . . 0.0 110.134 178.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 52.5 mt -80.11 -56.3 4.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.531 ' H ' ' HB2' ' A' ' 44' ' ' MET . 27.7 m-20 -132.66 123.15 25.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.331 176.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.608 ' HB3' HG21 ' A' ' 33' ' ' ILE . 9.1 p-10 -112.91 -7.6 13.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.494 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 12.7 ptpt -130.04 8.64 5.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.88 -28.43 49.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 p -148.26 151.91 36.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.132 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -99.66 -21.41 15.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.659 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.554 ' HB3' HD13 ' B' ' 8' ' ' LEU . 5.8 m-20 -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.768 -172.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 22' ' ' GLU . 37.4 m95 -123.61 143.55 50.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.457 -0.792 . . . . 0.0 108.952 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CZ3' ' HG3' ' A' ' 63' ' ' PRO . 43.1 m0 -113.57 159.84 19.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 0.0 111.488 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.531 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 67.7 mmm -92.65 97.18 10.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.302 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -105.65 146.23 29.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.321 0.582 . . . . 0.0 111.794 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 38.0 tt0 -121.46 118.85 30.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.947 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.599 HD23 HG12 ' A' ' 31' ' ' VAL . 95.8 mt -70.44 118.2 12.95 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 30' ' ' LYS . 8.8 p -63.56 -36.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.603 0.716 . . . . 0.0 110.103 176.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.18 -60.35 3.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.517 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.9 m -104.66 -38.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.79 17.98 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.835 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.33 141.01 58.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 111.216 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -125.49 156.53 38.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.46 -173.33 45.73 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.538 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.402 HD12 ' HB3' ' A' ' 21' ' ' ASP . 87.5 mt -88.1 127.66 35.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 110.834 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.13 153.79 81.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.807 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.5 123.75 13.71 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.447 2.098 . . . . 0.0 111.704 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -31.89 64.61 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 59' ' ' GLN . 8.1 tt0 -78.34 -6.71 55.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.681 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -93.23 -4.24 52.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.167 -0.333 . . . . 0.0 110.904 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mm -121.15 133.76 66.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.253 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -95.65 109.83 47.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 167.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.1 Cg_exo -76.39 115.77 4.17 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.214 1.942 . . . . 0.0 110.674 177.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.1 p . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 122.273 1.035 . . . . 0.0 110.206 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.577 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 17.3 ptt? . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -112.93 123.98 51.57 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.411 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.438 ' HB ' HD13 ' B' ' 67' ' ' LEU . 35.5 pt -117.42 146.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.54 173.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -95.38 102.88 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.364 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.9 t -94.6 108.52 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.718 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.91 111.28 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.504 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.622 HG22 HD23 ' B' ' 69' ' ' LEU . 47.4 p -77.02 165.01 25.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.893 HD11 ' H ' ' B' ' 71' ' ' LEU . 49.0 mt -51.42 -34.8 36.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 111.471 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -83.67 2.04 39.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.927 -172.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.33 0.33 61.38 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.772 -0.727 . . . . 0.0 113.063 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -71.38 111.82 7.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.7 m -95.0 95.16 8.42 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 mt -100.77 113.08 35.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.112 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -76.07 111.59 11.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.45 131.68 54.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -81.87 105.0 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.521 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.06 141.99 43.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.312 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.562 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.4 OUTLIER -92.22 154.81 18.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.9 p -64.94 -26.62 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.257 0.551 . . . . 0.0 110.325 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.3 m -85.68 0.18 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.537 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.0 m-20 -79.5 152.69 30.06 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 53.7 p -91.58 159.98 15.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.763 174.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.594 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.4 mm -61.43 -29.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 172.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.95 -47.93 83.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.283 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.679 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.4 t30 -69.97 -36.28 75.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.32 -177.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -60.59 -40.69 85.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 86.0 mttt -61.29 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.365 178.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.9 p -73.17 -26.75 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.253 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.5 mttm -62.22 -49.0 77.49 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.6 mt -71.57 -35.41 56.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.548 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 24.1 tm0? -62.73 -29.36 70.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.077 0.465 . . . . 0.0 109.941 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.05 -52.18 7.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.968 176.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -64.94 -53.5 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.762 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -100.88 -40.46 7.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.787 0.327 . . . . 0.0 111.206 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 102.04 40.77 2.58 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.689 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.518 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 27.6 mt -106.7 122.81 40.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 122.698 -0.295 . . . . 0.0 110.28 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.3 Cg_endo -51.35 128.72 26.51 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.496 2.797 . . . . 0.0 112.9 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HG3' ' B' ' 31' ' ' GLN . 38.9 Cg_exo -61.64 -34.64 83.84 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.37 2.713 . . . . 0.0 113.202 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.94 -28.26 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 0.0 110.229 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 36.1 tt0 -78.98 -36.02 42.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.57 ' HB3' HD11 ' B' ' 69' ' ' LEU . 27.5 mt-30 -70.02 116.51 10.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.121 -176.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 70.6 mtp180 -118.15 111.14 18.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.817 173.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -87.17 132.83 33.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.403 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.18 121.58 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 110.266 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -128.76 112.73 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.624 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 39.48 27.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.658 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.48 -4.78 80.59 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.515 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.12 112.98 25.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.707 0.289 . . . . 0.0 110.471 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -72.42 115.05 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 67.6 mt -84.59 106.12 15.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.346 0.593 . . . . 0.0 111.617 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -77.13 141.12 40.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.225 174.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.594 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.4 p30 -85.71 150.18 24.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.08 -4.37 30.2 Favored Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -167.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -122.14 165.79 15.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 75.2 p -101.65 168.32 9.55 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.25 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.6 t -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.739 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.13 -42.23 84.78 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.978 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -89.45 -13.54 37.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 60.28 76.96 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.678 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.4 132.22 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.593 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.44 177.66 6.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.17 0.51 . . . . 0.0 111.035 -175.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.577 ' HG3' ' HB2' ' B' ' 1' ' ' MET . 25.0 ttpp -86.1 152.16 23.09 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 172.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 72.29 8.05 5.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.507 0.504 . . . . 0.0 110.761 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 56.2 m -79.17 143.22 35.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 0.0 111.06 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 33.2 m -101.93 117.63 35.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.88 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.438 HD13 ' HB ' ' B' ' 3' ' ' ILE . 6.9 mp -108.35 147.33 31.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.562 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -111.85 127.82 55.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.622 HD23 HG22 ' B' ' 7' ' ' THR . 43.3 tp -100.53 103.66 15.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.1 0.476 . . . . 0.0 110.945 -175.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.623 HG13 HD21 ' B' ' 8' ' ' LEU . 23.1 t -98.31 127.99 50.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.09 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.893 ' H ' HD11 ' B' ' 8' ' ' LEU . 87.6 mt -101.15 134.38 44.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.154 0.502 . . . . 0.0 111.523 -172.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 37.9 ttt180 -67.51 139.88 57.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.879 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.373 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 92.8 mttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -109.88 128.37 55.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.469 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -136.25 162.26 25.04 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.478 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.7 mt -126.45 133.02 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.613 HG21 HD12 ' A' ' 25' ' ' ILE . 3.4 p -82.7 136.68 22.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -99.4 -25.87 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.103 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -125.96 146.74 49.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.618 0.247 . . . . 0.0 111.052 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.95 128.95 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 87.1 t80 -127.54 110.42 12.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.136 0.493 . . . . 0.0 110.071 177.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.645 ' HA ' HG23 ' A' ' 24' ' ' THR . 82.5 mtp -93.34 118.14 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.879 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -70.64 140.39 51.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.208 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.24 -19.87 16.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.1 p -123.06 173.24 7.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -72.97 -25.12 60.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.537 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB3' HD12 ' A' ' 55' ' ' LEU . 2.1 m-20 -65.78 -38.93 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.323 0.582 . . . . 0.0 110.842 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.654 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 16.3 mt-10 -82.12 156.74 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.773 -175.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD21 ' HG ' ' A' ' 47' ' ' LEU . 59.7 tp -107.99 119.15 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.645 HG23 ' HA ' ' A' ' 16' ' ' MET . 36.0 m -70.64 113.44 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 177.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.613 HD12 HG21 ' A' ' 11' ' ' VAL . 9.2 pt -119.17 149.72 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.326 -174.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -116.29 145.33 43.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.761 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -56.29 117.96 4.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.898 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -12.57 31.11 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.438 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.6 138.83 55.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.618 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -91.83 133.1 35.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.237 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.673 HG21 HD12 ' A' ' 61' ' ' ILE . 8.2 m -129.16 140.26 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.16 0.505 . . . . 0.0 111.447 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 28.5 m-85 -89.07 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.335 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.1 mt -91.59 113.2 26.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.942 0.401 . . . . 0.0 110.047 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 3.3 mm? -82.99 -59.67 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.131 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.477 ' H ' ' HB2' ' A' ' 44' ' ' MET . 8.7 t70 -129.67 119.21 23.16 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.426 177.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.526 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 11.8 p-10 -118.79 18.78 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.177 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -111.51 -30.11 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.834 -170.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 35' ' ' ASP . 45.7 mmtm -70.51 -34.58 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.091 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -147.48 166.8 26.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.033 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.672 ' HD3' ' H ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -122.74 8.69 9.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.519 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.516 ' HA ' HD22 ' B' ' 8' ' ' LEU . 9.9 m-20 -102.85 -52.58 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.692 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -124.13 137.14 54.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.686 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 27.3 m0 -120.95 162.11 20.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.475 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.585 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 80.4 mmm -90.93 121.24 32.59 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 173.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.464 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 90.6 m -134.47 155.38 50.45 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.739 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -127.56 130.36 48.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.052 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.477 HD21 HG22 ' A' ' 25' ' ' ILE . 96.2 mt -66.43 114.02 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 32' ' ' TYR . 68.8 t -58.26 -30.82 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 0.0 110.796 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.41 -53.27 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.969 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -96.57 -40.38 9.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.72 -3.93 36.55 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.58 145.59 38.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.563 0.221 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 t -127.89 165.72 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.79 0.329 . . . . 0.0 110.249 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.59 -171.73 44.21 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' ' 21' ' ' ASP . 77.6 mt -87.03 129.7 34.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.324 . . . . 0.0 110.896 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 30.7 m -134.69 147.56 63.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 19.0 Cg_exo -66.9 126.43 15.25 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.641 2.227 . . . . 0.0 111.695 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.32 -15.47 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.29 -174.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.819 HE21 ' HG ' ' B' ' 8' ' ' LEU . 11.3 pt20 -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.254 -177.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -110.86 -9.53 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.309 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 31' ' ' VAL . 49.3 mm -101.13 114.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -108.79 106.06 58.12 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 22.7 Cg_exo -65.51 131.92 29.45 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.61 2.207 . . . . 0.0 111.423 175.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.691 -175.76 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.674 0.749 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -97.05 125.58 41.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.009 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -117.53 152.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -104.21 98.3 8.13 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.467 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -86.22 106.2 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.749 0.785 . . . . 0.0 110.137 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -93.34 106.64 18.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.478 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.567 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 63.3 p -74.79 170.1 16.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.819 ' HG ' HE21 ' A' ' 59' ' ' GLN . 2.4 tt -61.56 -30.05 70.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.204 177.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.8 p -81.31 -2.15 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.756 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.87 1.16 73.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.519 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -75.74 113.37 13.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -100.94 105.22 16.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.015 0.436 . . . . 0.0 110.114 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.467 ' HB ' HG13 ' B' ' 5' ' ' VAL . 53.3 mt -99.35 135.04 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 -176.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -82.77 111.45 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.567 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.06 126.04 52.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -91.53 104.62 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.19 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.567 HG13 HD12 ' B' ' 15' ' ' LEU . 31.2 m -134.9 154.7 37.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.656 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.42 156.33 23.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.629 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 12.9 m -66.25 -23.96 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.399 . . . . 0.0 111.34 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -82.27 -0.48 45.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.931 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -99.4 164.18 12.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.679 0.276 . . . . 0.0 110.543 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -91.05 164.06 14.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.503 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.421 HD12 HD23 ' B' ' 50' ' ' LEU . 49.9 mm -65.37 -29.58 47.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.276 0.56 . . . . 0.0 109.694 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 11.2 t70 -64.04 -41.55 97.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.421 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.673 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 23.9 t-20 -62.8 -42.49 99.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.796 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.515 ' O ' HG13 ' B' ' 30' ' ' ILE . 63.5 t -58.68 -42.11 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.405 174.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 91.2 mttt -53.77 -47.61 70.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.153 177.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -65.98 -34.91 79.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.989 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.673 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.4 mttm -67.89 -29.75 68.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.675 0.274 . . . . 0.0 110.976 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.515 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -75.69 -41.6 40.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.756 0.312 . . . . 0.0 110.21 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.432 ' HG3' ' HA2' ' B' ' 35' ' ' GLY . 27.3 tt0 -63.7 -34.75 78.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 109.892 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.7 -30.23 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 44.1 mmtm -91.02 -69.37 0.74 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.719 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.95 -48.36 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.33 -171.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.432 ' HA2' ' HG3' ' B' ' 31' ' ' GLN . . . 118.82 -3.6 14.73 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.516 175.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.01 129.01 91.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.795 0.298 . . . . 0.0 110.794 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -56.06 132.98 55.22 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.088 2.525 . . . . 0.0 113.026 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -60.45 -26.87 83.74 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.481 2.787 . . . . 0.0 112.792 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.6 -27.28 67.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.421 0.629 . . . . 0.0 110.34 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 73' ' ' LEU . 55.9 tt0 -96.31 -29.28 14.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -174.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.486 ' HB3' HD11 ' B' ' 69' ' ' LEU . 26.0 mt-30 -72.93 117.81 15.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.782 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.616 ' HD2' ' HB2' ' B' ' 72' ' ' ARG . 74.4 mtp180 -121.4 126.24 48.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 6.4 mp -97.24 138.59 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -178.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -125.27 125.47 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.479 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -128.74 111.08 12.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.173 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 16.96 9.58 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.81 -15.51 44.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.588 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.0 ttmm -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -91.51 124.2 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.881 0.372 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.3 mp -93.92 110.7 22.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.524 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -99.77 168.18 10.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.562 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 1.3 p30 -79.2 19.93 0.54 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.165 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.5 0.03 30.88 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.131 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.521 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 72.3 mtt-85 -137.37 174.25 10.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.118 0.459 . . . . 0.0 111.141 -178.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.4 p -102.49 179.18 4.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.654 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.0 mp -66.13 -31.44 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 110.516 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 t -68.21 -31.7 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.626 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.06 -37.14 86.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.588 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 97.8 m-85 -95.66 2.04 53.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.9 m120 57.69 40.35 26.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.277 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.416 HD12 ' HG ' ' B' ' 56' ' ' LEU . 81.3 mt -69.61 124.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.217 -177.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -83.43 165.91 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.727 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -74.77 142.51 44.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.286 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 62.21 30.95 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.779 0.674 . . . . 0.0 111.196 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 p -85.92 155.56 20.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -101.41 103.65 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.233 0.54 . . . . 0.0 110.908 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.401 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.5 mp -93.71 144.13 25.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.499 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -97.85 125.28 42.65 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.567 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 44.2 tp -99.98 110.08 22.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.088 0.47 . . . . 0.0 110.367 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.413 HG22 ' NE2' ' A' ' 59' ' ' GLN . 40.4 t -111.5 136.27 48.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.721 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.69 143.13 29.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.032 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.616 ' HB2' ' HD2' ' B' ' 42' ' ' ARG . 32.2 ttm180 -82.84 -3.0 56.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 175.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.403 ' HA ' HE21 ' B' ' 40' ' ' GLN . 81.6 mt . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.898 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.578 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 67.2 mttt . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -117.99 150.5 39.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.288 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.92 159.13 28.31 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.175 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -124.16 125.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -79.0 126.96 39.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.766 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -100.28 -23.86 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.961 -175.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -123.46 134.23 53.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.52 137.01 58.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.243 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.551 ' HB3' HG12 ' A' ' 25' ' ' ILE . 54.6 t80 -130.73 109.04 10.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.997 0.427 . . . . 0.0 111.101 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.438 ' HA ' HG23 ' A' ' 24' ' ' THR . 26.5 mmt -86.56 126.97 34.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.768 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -78.55 122.91 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 111.391 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HB2' ' NE2' ' B' ' 49' ' ' GLN . 10.9 tp10 -88.82 -50.03 6.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 t -93.18 164.35 13.28 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -77.58 -7.32 56.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.995 0.426 . . . . 0.0 111.095 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.24 -27.37 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.37 0.605 . . . . 0.0 109.758 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 35.9 mt-10 -79.68 153.02 29.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.021 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.636 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 47.3 tp -105.72 121.46 44.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 ' HA ' ' A' ' 16' ' ' MET . 4.1 m -76.78 107.1 8.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.892 0.377 . . . . 0.0 110.209 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.551 HG12 ' HB3' ' A' ' 15' ' ' PHE . 14.5 pt -123.78 155.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.467 -173.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -115.91 150.2 37.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.557 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 t -61.68 123.06 16.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.93 -6.17 37.17 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.868 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.64 155.45 31.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.277 0.561 . . . . 0.0 111.132 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB3' HG11 ' A' ' 48' ' ' VAL . 3.6 tmtp? -104.16 129.67 51.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.393 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.522 HG12 HD23 ' A' ' 47' ' ' LEU . 27.7 m -134.49 163.67 36.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.375 0.607 . . . . 0.0 112.053 -177.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.767 ' CE2' HG23 ' A' ' 48' ' ' VAL . 24.8 m-85 -100.84 146.12 27.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.0 mt -103.12 126.24 57.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.8 mm? -98.16 -74.16 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.246 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 14.4 t0 -105.58 112.48 25.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.606 -177.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -122.0 -58.17 1.74 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -66.07 -7.86 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -171.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -77.87 -19.96 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -151.17 167.54 27.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -120.54 13.71 11.77 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.538 ' HB3' HD13 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -114.87 -68.16 0.94 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.054 -170.535 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.523 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 60.0 m95 -118.35 134.48 55.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.206 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -119.25 154.48 33.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.968 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.446 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 41.0 mtp -95.9 124.67 40.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.4 m -132.21 157.95 43.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.103 0.477 . . . . 0.0 111.046 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 35.3 tt0 -132.03 133.94 44.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.173 -177.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.522 HD23 HG12 ' A' ' 31' ' ' VAL . 97.1 mt -59.84 119.36 7.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.767 HG23 ' CE2' ' A' ' 32' ' ' TYR . 14.0 p -50.07 -49.6 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.951 0.782 . . . . 0.0 113.083 -167.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 48' ' ' VAL . 3.7 p-10 -90.34 -35.43 15.24 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.357 -175.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 m -78.06 -43.36 29.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -170.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.74 -9.56 56.99 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.544 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HB2' HD12 ' A' ' 47' ' ' LEU . 96.2 mttt -67.48 119.37 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.5 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -116.79 141.63 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.357 -177.491 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.636 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -161.95 -175.78 33.34 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.167 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 28.2 tp -100.43 128.49 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.495 HG11 HD13 ' A' ' 25' ' ' ILE . 29.8 m -135.12 158.13 75.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.939 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.33 134.74 37.24 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.628 2.218 . . . . 0.0 111.946 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.75 73.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.975 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.58 HE21 HD23 ' B' ' 8' ' ' LEU . 9.8 pt20 -80.56 3.45 21.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.103 -176.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.87 -20.22 16.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.069 0.461 . . . . 0.0 110.181 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -107.77 126.96 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.376 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 12.6 tp10 -103.76 106.02 50.61 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 62' ' ' GLU . 14.9 Cg_exo -68.34 120.6 7.55 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.239 2.626 . . . . 0.0 113.027 -174.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 64' ' ' VAL . 5.6 p . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.997 0.903 . . . . 0.0 109.735 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.643 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 21.0 ptt? . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.683 0.754 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.454 ' HB2' ' OE1' ' B' ' 64' ' ' GLU . 95.6 mt-30 -107.06 120.47 42.18 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.407 -1.27 . . . . 0.0 111.299 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.667 ' HB ' HD13 ' B' ' 67' ' ' LEU . 43.2 pt -120.48 133.18 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 169.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 92.6 m-85 -90.87 102.29 15.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.025 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.6 t -83.01 105.8 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -102.34 110.35 22.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.913 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.655 HG22 HD23 ' B' ' 69' ' ' LEU . 47.0 p -82.71 174.28 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.15 0.5 . . . . 0.0 111.969 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.813 HD11 ' H ' ' B' ' 71' ' ' LEU . 30.8 mt -60.76 -34.37 74.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.694 174.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -84.75 -10.88 56.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.426 -169.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.73 9.01 31.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.758 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -84.04 107.04 16.16 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 10.8 m -106.63 92.54 4.15 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -104.53 129.63 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.576 -175.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -74.99 111.67 10.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.109 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 128.85 44.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -89.62 95.01 10.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.869 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' B' ' 1' ' ' MET . 9.9 m -128.11 152.99 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.764 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -97.57 167.09 11.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -67.92 -24.73 65.23 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.972 0.415 . . . . 0.0 111.442 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -89.21 0.52 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.038 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.69 142.12 38.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 34.2 p -86.34 152.68 22.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.426 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 49.5 mm -57.78 -38.25 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.767 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 1.3 p30 -60.45 -38.93 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.165 177.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.619 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 11.1 t-20 -70.03 -38.67 75.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.442 HG21 HD21 ' B' ' 56' ' ' LEU . 60.6 t -62.52 -41.61 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.404 176.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 98.8 mttt -57.49 -43.11 83.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 109.866 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t -66.41 -36.56 83.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.013 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.5 mttm -57.84 -43.32 85.79 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 109.994 176.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.92 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.561 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.46 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 62.2 tt0 -61.96 -39.35 91.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 176.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.646 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -74.38 -77.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.958 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.56 -6.62 25.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.528 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.68 43.75 7.15 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.393 175.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.5 mt -105.97 121.47 45.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.4 Cg_exo -56.65 128.91 31.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.18 2.586 . . . . 0.0 113.392 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.7 Cg_exo -61.3 -35.67 83.28 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.373 2.715 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.21 -19.27 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.679 HE22 HD13 ' B' ' 71' ' ' LEU . 0.4 OUTLIER -100.52 -7.78 23.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.617 -174.431 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.686 ' HB3' HD11 ' B' ' 69' ' ' LEU . 25.6 mt-30 -103.93 134.22 47.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.601 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -133.32 113.19 12.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.05 0.453 . . . . 0.0 109.907 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -85.01 152.46 23.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.339 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 67.4 mt -137.26 127.35 38.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.747 0.308 . . . . 0.0 110.328 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -132.66 120.19 21.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.47 27.6 17.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.652 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.43 -17.98 57.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.279 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -91.51 127.56 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.568 ' NE2' ' HB2' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -77.39 143.18 38.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.194 0.521 . . . . 0.0 110.536 178.762 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 9.2 mt -111.32 112.57 24.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.614 -176.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -117.39 179.24 4.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.336 0.588 . . . . 0.0 111.859 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' B' ' 24' ' ' ASP . 6.8 m-20 -68.81 149.58 48.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.078 -173.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.74 -41.85 2.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.567 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 17.1 mmt180 -97.22 162.09 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.8 p -95.51 178.38 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.951 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.442 HD21 HG21 ' B' ' 26' ' ' VAL . 3.7 mm? -64.01 -34.55 78.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.359 0.6 . . . . 0.0 109.907 173.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 t -74.32 -31.15 62.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.132 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 13.3 t70 -65.35 -45.15 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.184 -177.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' B' ' 54' ' ' ARG . 48.9 m-85 -79.82 5.65 13.07 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 60.91 67.98 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.603 0.716 . . . . 0.0 110.358 -177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.0 mt -113.59 129.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.236 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -92.05 164.62 13.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.643 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 56.8 pttt -86.31 169.14 13.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.454 ' OE1' ' HB2' ' B' ' 2' ' ' GLN . 7.7 mm-40 62.18 20.33 11.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.309 0.575 . . . . 0.0 110.217 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -108.75 157.38 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.033 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 17.7 m -100.81 117.67 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 111.002 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.667 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.3 mp -99.54 138.74 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.388 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -96.58 121.49 38.47 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.177 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' B' ' 41' ' ' GLN . 46.7 tp -97.11 100.76 12.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.24 0.543 . . . . 0.0 110.588 -178.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.534 HG13 HD21 ' B' ' 8' ' ' LEU . 45.1 t -96.92 120.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.209 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.813 ' H ' HD11 ' B' ' 8' ' ' LEU . 74.4 mt -86.44 156.05 20.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.769 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.76 -8.26 54.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.232 0.161 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -173.043 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 11.3 ptmt . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 121.263 0.554 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -105.54 155.32 19.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.293 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.85 168.83 28.06 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.924 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -130.31 131.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.707 HG21 HD12 ' A' ' 25' ' ' ILE . 5.3 p -83.9 134.15 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 110.821 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -99.35 -11.89 20.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.037 -174.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.36 171.59 11.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.015 0.436 . . . . 0.0 111.234 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.17 155.29 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.693 171.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -160.22 132.3 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.669 0.271 . . . . 0.0 110.887 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.401 ' HA ' HG23 ' A' ' 24' ' ' THR . 65.4 mtt -100.1 127.15 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.849 176.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -81.14 156.1 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.893 0.378 . . . . 0.0 111.283 -178.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -114.84 -46.37 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.266 0.555 . . . . 0.0 110.002 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -99.26 168.45 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.44 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.558 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.34 -34.86 79.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.45 0.643 . . . . 0.0 110.217 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 28.5 mt-10 -89.02 160.23 17.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.972 -171.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.491 HD21 ' HG ' ' A' ' 47' ' ' LEU . 60.9 tp -126.18 123.72 38.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.401 HG23 ' HA ' ' A' ' 16' ' ' MET . 93.6 m -71.65 119.83 16.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.505 177.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 11' ' ' VAL . 12.1 pt -123.58 153.73 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.984 -176.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -127.45 149.57 50.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.6 m -54.86 116.86 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.353 0.408 . . . . 0.0 110.391 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.49 -10.26 30.62 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.148 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 11' ' ' VAL . 11.8 m-20 -67.13 127.06 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.239 0.52 . . . . 0.0 110.366 176.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -79.35 127.06 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.619 HG12 HD23 ' A' ' 47' ' ' LEU . 17.0 m -128.51 150.78 34.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.393 0.616 . . . . 0.0 112.414 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.538 ' CE2' HG22 ' A' ' 48' ' ' VAL . 62.8 m-85 -96.34 131.27 43.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.097 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.575 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 55.6 mt -91.32 110.09 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 43.5 mt -80.02 -74.73 0.29 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.635 ' H ' ' HB2' ' A' ' 44' ' ' MET . 1.7 m-20 -121.58 136.34 54.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.313 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -128.53 -62.85 1.01 Allowed 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -53.65 -26.61 23.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -71.36 -19.46 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.3 m -127.94 157.72 39.8 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -126.31 2.64 7.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.682 0.753 . . . . 0.0 109.863 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -124.89 -51.67 1.68 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.192 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.603 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 71.5 m95 -122.8 118.26 27.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.003 0.43 . . . . 0.0 110.803 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -101.99 157.12 17.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.635 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.3 mmm -87.19 112.3 21.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.675 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 92.8 m -129.85 149.65 51.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.749 0.309 . . . . 0.0 110.997 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -122.81 124.91 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.203 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 31' ' ' VAL . 96.2 mt -67.27 122.11 17.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.337 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.538 HG22 ' CE2' ' A' ' 32' ' ' TYR . 38.5 t -66.86 -25.66 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.636 0.731 . . . . 0.0 110.204 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.66 -11.84 44.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.797 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 22.8 t -126.92 -35.85 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.904 -174.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.16 -6.43 75.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.009 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -82.46 137.06 34.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 p -115.34 156.51 25.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.63 -175.45 47.27 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.961 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.603 ' HB3' ' HB3' ' A' ' 42' ' ' TRP . 3.9 mm? -87.32 124.32 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.411 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.88 153.94 70.85 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.042 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 115.32 2.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.515 2.144 . . . . 0.0 112.067 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.925 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 8.6 tt0 -70.14 -12.17 61.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.343 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -94.5 -8.38 38.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.591 0.234 . . . . 0.0 111.175 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.28 137.2 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.998 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -116.96 108.17 44.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.04 115.44 4.27 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.917 2.411 . . . . 0.0 112.137 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.574 -178.569 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.611 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 21.1 ptt? . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.021 0.439 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -124.43 130.7 52.96 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -119.97 154.66 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.342 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -99.14 107.73 20.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.709 0.29 . . . . 0.0 110.245 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -91.77 96.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.957 0.408 . . . . 0.0 109.933 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.17 108.16 18.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.842 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.409 HG22 HD23 ' B' ' 69' ' ' LEU . 72.0 p -76.32 173.12 11.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.354 -177.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' B' ' 70' ' ' VAL . 24.1 mt -61.25 -32.34 72.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 178.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.9 p -84.71 1.78 44.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.359 -172.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 26.24 33.49 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.909 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -104.15 119.89 39.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -91.74 95.28 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.897 0.38 . . . . 0.0 110.642 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.78 116.66 30.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -78.01 116.42 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.466 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 15' ' ' LEU . 1.4 mm? -108.45 116.52 32.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 1' ' ' MET . 23.6 tt0 -86.39 98.21 10.87 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.253 0.549 . . . . 0.0 109.69 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.46 161.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.651 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -104.32 170.22 8.02 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.964 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -69.85 -25.96 63.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.482 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -80.82 -1.43 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.07 163.7 15.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 39.4 p -106.33 152.32 23.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.64 0.257 . . . . 0.0 110.905 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.662 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.8 mm -58.28 -38.18 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.042 0.449 . . . . 0.0 110.971 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.876 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 1.1 p-10 -62.5 -38.42 89.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.2 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.45 -37.41 65.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.96 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 30' ' ' ILE . 82.7 t -61.25 -42.08 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.512 ' HE2' ' HG3' ' B' ' 41' ' ' GLN . 84.7 mttt -53.84 -40.46 66.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 110.597 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -66.93 -38.99 87.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.517 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -73.52 -18.53 61.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 26' ' ' VAL . 77.5 mt -81.36 -41.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -62.98 -33.19 74.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.777 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.35 -33.99 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.758 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -107.88 -57.37 2.11 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.466 ' OE1' ' HA ' ' B' ' 34' ' ' GLU . 9.8 tp10 -86.5 -34.14 20.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.262 -175.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.5 18.17 29.01 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.902 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 79.0 mt -82.63 114.75 54.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.469 0.175 . . . . 0.0 110.729 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 10.1 Cg_endo -55.49 137.87 78.85 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.729 2.286 . . . . 0.0 111.897 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.6 Cg_exo -61.55 -26.61 80.88 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.949 2.433 . . . . 0.0 113.154 -175.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -86.23 -0.86 56.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.902 0.382 . . . . 0.0 111.264 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -114.85 8.84 16.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.496 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.635 ' HB2' HD11 ' B' ' 69' ' ' LEU . 9.9 pt20 -133.24 150.08 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.444 -0.503 . . . . 0.0 112.148 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -135.69 136.48 40.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.349 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 6.6 mp -91.97 128.51 37.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -122.45 114.61 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.762 0.315 . . . . 0.0 110.497 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 39.8 t80 -110.85 110.19 20.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 18.47 5.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.918 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.84 -8.69 43.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.023 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.38 127.36 32.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.251 0.548 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.427 ' HG2' ' HG2' ' B' ' 51' ' ' GLU . 18.8 tt0 -69.96 113.35 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.385 176.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 43.5 mt -107.02 94.23 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.427 ' HG2' ' HG2' ' B' ' 49' ' ' GLN . 6.1 mm-40 -92.59 153.26 19.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.296 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.876 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 1.8 p-10 -71.54 165.82 23.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.157 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.24 -27.62 12.33 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -123.36 168.92 11.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 111.457 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 55.5 p -85.09 166.06 16.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.126 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mp -69.9 -27.34 64.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 175.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -60.27 -40.48 90.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.24 -41.82 93.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -79.77 -1.36 38.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 61.09 39.91 15.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.291 0.567 . . . . 0.0 111.399 177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.59 125.48 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -105.53 174.03 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.611 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 10.9 ptmm? -72.54 156.11 39.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.993 0.425 . . . . 0.0 111.632 -177.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 64.93 22.16 12.43 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.059 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.5 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 12.3 p -82.89 144.17 30.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.797 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.2 m -97.14 102.09 13.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.22 0.533 . . . . 0.0 110.838 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' B' ' 45' ' ' PHE . 6.8 mp -92.9 141.87 27.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.434 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -104.97 119.99 40.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' B' ' 41' ' ' GLN . 31.5 tp -90.54 104.05 16.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.126 0.489 . . . . 0.0 110.414 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.576 ' HA ' HD21 ' B' ' 8' ' ' LEU . 58.2 t -106.41 128.23 61.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.842 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.561 ' H ' HD11 ' B' ' 8' ' ' LEU . 21.4 mt -73.16 160.02 32.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.297 -176.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -97.32 -2.29 42.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.22 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 18.2 tp . . . . . 0 CA--C 1.536 0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.319 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.265 0.555 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -97.18 137.01 36.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.823 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -138.79 143.95 14.82 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.53 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.748 HG13 ' HG2' ' A' ' 30' ' ' LYS . 1.7 mp -108.2 110.18 31.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 173.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.628 HG21 HD12 ' A' ' 25' ' ' ILE . 2.8 p -67.4 135.93 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.069 0.462 . . . . 0.0 111.199 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.518 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 16.3 mm100 -100.83 -12.87 18.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.041 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -121.63 145.4 48.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.855 0.359 . . . . 0.0 111.213 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.72 116.99 21.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.692 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HB3' HG12 ' A' ' 25' ' ' ILE . 41.3 t80 -112.0 121.27 44.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -102.1 100.49 10.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.408 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 125.8 25.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.593 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -102.06 -29.63 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.405 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 m -96.17 148.46 22.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.001 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.22 -12.63 60.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.099 0.476 . . . . 0.0 110.243 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.04 -33.43 74.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.752 172.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 39.7 mt-10 -85.98 173.7 9.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.307 -174.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 52' ' ' LYS . 24.7 tp -129.85 123.71 31.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.816 0.341 . . . . 0.0 111.222 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 14.5 m -79.05 105.45 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.628 HD12 HG21 ' A' ' 11' ' ' VAL . 16.7 pt -123.16 155.32 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.269 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -106.34 152.89 22.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.205 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.6 t -64.64 114.98 4.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.22 7.43 26.66 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.42 -176.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' HG12 ' A' ' 11' ' ' VAL . 63.2 m-20 -86.37 130.84 34.37 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.561 -0.376 . . . . 0.0 110.017 173.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.748 ' HG2' HG13 ' A' ' 10' ' ' ILE . 49.0 mtmt -85.91 126.98 34.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.999 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.915 HG12 HD22 ' A' ' 47' ' ' LEU . 33.5 m -128.07 146.08 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.04 0.448 . . . . 0.0 111.738 -174.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -92.65 121.95 34.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.455 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.9 mt -79.99 112.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -92.52 -76.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.35 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.656 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 3.7 m-20 -82.04 101.98 10.69 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 3.1 p30 -116.02 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.59 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -68.61 -29.6 68.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.134 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -72.29 -23.78 61.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.868 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.536 ' HB3' ' O ' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -150.7 114.84 5.07 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -73.06 -22.17 60.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.387 0.613 . . . . 0.0 110.636 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.603 ' HA ' HD21 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -88.12 -56.43 3.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.969 -175.772 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 39' ' ' SER . 50.3 m95 -117.62 125.59 51.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.607 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.412 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 43.0 m0 -105.01 146.37 29.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.656 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 4.4 mtm -91.36 105.24 17.63 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.649 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 74.6 m -102.83 141.52 35.5 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.311 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.553 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 36.9 tt0 -115.52 119.5 36.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.558 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.915 HD22 HG12 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.41 123.66 17.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.958 -175.663 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.75 -41.55 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.237 0.541 . . . . 0.0 111.245 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.42 -38.16 17.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.14 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.8 m -93.8 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.99 5.97 65.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.47 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.874 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 76.5 mttt -70.73 126.74 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 85.1 p -125.04 125.14 43.37 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.496 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.69 -178.47 39.26 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.702 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' A' ' 42' ' ' TRP . 4.4 mm? -84.28 126.02 32.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 111.36 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 25' ' ' ILE . 31.6 m -136.34 151.18 72.73 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.804 174.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.71 133.04 37.54 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.514 2.143 . . . . 0.0 112.056 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.82 70.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.951 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.402 HE21 HG22 ' B' ' 70' ' ' VAL . 16.8 pt20 -78.71 9.96 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.098 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.404 ' HZ ' ' HB ' ' B' ' 44' ' ' ILE . 3.4 m-30 -105.9 -15.88 14.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 0.0 110.116 176.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.568 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 49.8 mm -95.98 133.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.825 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HB2' ' HG2' ' A' ' 12' ' ' GLN . 1.4 tp10 -104.91 90.48 3.6 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 171.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 61' ' ' ILE . 18.5 Cg_exo -66.71 137.87 47.24 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.434 2.09 . . . . 0.0 111.767 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.719 0.771 . . . . 0.0 110.702 -179.849 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.482 ' CB ' ' HB3' ' B' ' 63' ' ' LYS . 14.2 ptt? . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -89.52 126.33 35.55 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.419 ' HB ' HD13 ' B' ' 67' ' ' LEU . 40.2 pt -116.12 135.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.08 93.85 5.69 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.821 HG13 ' HB ' ' B' ' 13' ' ' ILE . 2.8 p -93.47 110.91 23.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.435 0.636 . . . . 0.0 110.378 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.6 123.26 31.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.495 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.567 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 52.0 p -74.68 175.22 8.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.704 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.603 HD21 ' HA ' ' A' ' 41' ' ' ASP . 4.8 tt -64.43 -20.71 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.472 . . . . 0.0 110.536 -178.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.9 p -85.32 -8.59 58.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.441 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 11.8 58.32 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.236 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -84.8 130.21 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 0.0 110.592 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.1 m -85.1 112.13 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.821 ' HB ' HG13 ' B' ' 5' ' ' VAL . 48.3 mm -99.97 104.85 16.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.792 174.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 27.0 m -79.35 111.52 15.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' B' ' 15' ' ' LEU . 13.3 tp -120.4 120.95 37.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.816 0.341 . . . . 0.0 111.124 -174.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -87.09 102.44 14.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.96 160.82 23.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -174.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.611 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 43.3 mt-10 -82.39 147.2 28.93 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -67.81 -23.74 65.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -102.82 13.12 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.611 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 21.0 t0 -78.14 147.81 34.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.755 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.8 p -78.65 150.36 32.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 40.3 mm -58.86 -33.82 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.234 0.54 . . . . 0.0 109.548 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.78 -42.69 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.868 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.9 t30 -73.29 -31.61 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.36 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 22' ' ' THR . 86.7 t -66.11 -43.38 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 172.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 92.6 mttt -55.93 -43.84 77.79 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 173.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -69.59 -27.89 65.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.105 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.9 mttp -67.45 -41.06 85.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.074 0.464 . . . . 0.0 110.129 173.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.14 -37.87 77.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.097 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.574 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 11.8 tt0 -68.59 -35.1 76.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.07 0.462 . . . . 0.0 110.397 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.01 -37.39 85.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -83.37 -61.22 1.9 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.81 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -98.54 -30.07 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 49.72 2.5 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.564 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.574 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 59.2 mt -108.32 126.72 28.97 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.4 Cg_exo -59.35 131.44 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.904 2.402 . . . . 0.0 112.576 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.5 Cg_exo -61.58 -31.05 86.89 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.165 2.577 . . . . 0.0 112.727 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.45 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 3.6 m-20 -63.84 -34.57 78.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.449 0.642 . . . . 0.0 110.191 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 32.0 tt0 -85.93 -4.19 59.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.631 -174.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.448 ' HG2' HD11 ' B' ' 69' ' ' LEU . 45.0 mt-30 -102.04 116.63 33.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -120.75 115.95 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 166.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.3 mm? -92.23 134.88 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.858 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.421 ' N ' HD12 ' B' ' 44' ' ' ILE . 3.9 mp -114.84 125.13 72.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.909 0.385 . . . . 0.0 110.039 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 52.3 t80 -125.23 102.36 7.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.319 176.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.62 34.29 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.76 -8.61 58.15 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -89.88 111.56 22.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -80.09 112.63 17.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 21.1 mt -92.55 119.9 32.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.73 -172.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -117.5 162.51 17.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.222 0.534 . . . . 0.0 110.443 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.4 161.35 22.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.847 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.05 -37.27 3.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.676 -174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.531 ' HD2' ' OD2' ' B' ' 58' ' ' ASP . 14.5 mmt180 -102.08 171.48 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.765 0.317 . . . . 0.0 110.952 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.755 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 57.8 p -106.82 172.81 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.5 mt -68.38 -31.78 71.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.289 0.566 . . . . 0.0 110.039 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -69.16 -28.87 66.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.541 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.531 ' OD2' ' HD2' ' B' ' 54' ' ' ARG . 9.2 t70 -62.09 -46.76 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.423 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -85.03 0.14 52.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.169 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.8 m120 62.93 58.04 1.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.547 0.529 . . . . 0.0 110.805 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -95.89 129.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -92.83 -170.59 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.733 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.482 ' HB3' ' CB ' ' B' ' 1' ' ' MET . 18.0 pttm -93.81 154.2 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.28 12.36 8.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.824 0.703 . . . . 0.0 110.51 -175.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 75.8 m -68.83 139.57 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.127 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -97.26 113.44 25.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.494 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.419 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.3 mp -104.71 156.68 17.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.837 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -126.22 129.04 48.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.821 0.343 . . . . 0.0 110.54 174.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.567 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 53.4 tp -93.79 105.68 17.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.511 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.402 HG22 HE21 ' A' ' 59' ' ' GLN . 29.9 t -105.14 131.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 175.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.593 ' H ' HD12 ' B' ' 8' ' ' LEU . 18.9 mt -81.04 144.54 31.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.722 0.772 . . . . 0.0 112.542 -169.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 34.8 ttm180 -98.79 104.7 16.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.365 -1.289 . . . . 0.0 107.927 170.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.328 -0.345 0 O-C-N 123.591 0.557 . . . . 0.0 111.12 -176.389 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 94.9 mttt . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 121.348 0.594 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -110.93 137.39 48.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.958 0.409 . . . . 0.0 110.543 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.63 152.43 21.63 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.904 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -110.95 111.52 36.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 2.6 p -72.89 124.98 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 0.0 111.091 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -86.02 -43.4 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.967 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 77.2 m-85 -102.44 -177.46 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 -176.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -115.83 128.07 55.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.576 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 66.3 t80 -127.72 136.28 51.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.643 0.258 . . . . 0.0 110.675 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp -103.41 141.76 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.02 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.55 112.23 24.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.81 -32.77 12.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.201 0.524 . . . . 0.0 109.763 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -86.55 166.46 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.912 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.31 52.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.31 0.576 . . . . 0.0 109.783 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.51 -12.46 42.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.55 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -90.96 163.44 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.551 0.215 . . . . 0.0 110.54 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.683 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 54.8 tp -124.13 145.4 49.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 111.127 -177.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -92.0 116.94 29.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.4 pt -122.47 145.22 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.781 0.324 . . . . 0.0 111.222 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -107.54 139.47 42.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.535 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 p -59.67 125.2 22.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.045 0.45 . . . . 0.0 111.426 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.98 1.49 63.08 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.671 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.402 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.4 t70 -81.82 152.57 26.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -88.96 120.62 30.54 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.738 HG21 HD12 ' A' ' 61' ' ' ILE . 34.1 m -125.21 149.66 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.992 0.425 . . . . 0.0 111.6 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 47.1 m-85 -89.84 151.43 21.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.236 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.4 mt -102.05 95.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.579 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 93.7 mt -63.8 -52.5 59.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.695 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.474 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 15.9 t70 -141.3 139.74 33.7 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.218 0.533 . . . . 0.0 111.384 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -134.04 24.23 3.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.84 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -126.69 -39.84 1.96 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 69.8 mmtt -59.03 -40.92 86.49 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.434 0.635 . . . . 0.0 110.18 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 m -146.01 148.14 32.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.364 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -93.27 -25.12 17.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 0.0 110.147 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.901 ' HA ' HD13 ' B' ' 8' ' ' LEU . 5.2 m-20 -78.66 -36.91 43.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.72 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.471 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 70.3 m95 -124.17 126.43 46.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -112.97 158.6 20.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.309 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.579 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -101.97 125.35 48.63 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.52 ' SG ' HD23 ' A' ' 23' ' ' LEU . 27.9 p -123.41 158.08 31.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.801 0.334 . . . . 0.0 110.957 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 54.3 tt0 -133.19 123.72 26.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.618 HD23 HG12 ' A' ' 31' ' ' VAL . 96.9 mt -66.79 126.02 27.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.5 t -76.02 -23.38 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.516 0.674 . . . . 0.0 109.49 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.06 -57.96 3.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 t -85.68 -45.61 11.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.558 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.2 -16.79 32.27 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.18 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.73 155.33 40.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.74 0.305 . . . . 0.0 110.815 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.1 m -128.69 162.99 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 -175.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.683 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 172.89 178.14 42.71 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.136 176.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 25.5 tp -92.52 133.14 36.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.894 0.478 . . . . 0.0 110.639 -177.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG11 HD13 ' A' ' 25' ' ' ILE . 29.6 m -141.11 159.62 60.94 Favored Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.49 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HB3' HG21 ' B' ' 70' ' ' VAL . 24.3 Cg_exo -64.89 145.34 85.64 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.814 2.343 . . . . 0.0 112.196 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB3' HD11 ' B' ' 8' ' ' LEU . . . -62.66 -36.13 81.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.487 HE22 HG22 ' B' ' 70' ' ' VAL . 20.4 mp0 -62.66 -18.84 63.09 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.026 0.441 . . . . 0.0 111.112 -178.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 3.6 m-85 -79.83 -27.5 40.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.875 -176.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.738 HD12 HG21 ' A' ' 31' ' ' VAL . 45.0 mm -106.61 107.73 23.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.779 0.323 . . . . 0.0 111.02 -176.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -93.11 103.71 10.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 173.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.12 116.1 3.26 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.486 2.124 . . . . 0.0 112.346 -176.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 122.293 1.044 . . . . 0.0 110.083 179.362 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.513 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 21.5 ptt? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.6 mt-30 -76.3 131.86 39.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 170.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.524 ' HB ' HD23 ' B' ' 67' ' ' LEU . 36.9 pt -121.11 145.84 27.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -95.42 95.48 8.47 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.1 t -79.6 93.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' B' ' 7' ' ' THR . 12.3 tmtt? -98.84 105.13 17.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.235 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.599 HG22 HD23 ' B' ' 69' ' ' LEU . 70.1 p -66.8 165.91 14.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.598 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 41' ' ' ASP . 8.4 tt -57.53 -53.25 60.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.2 p -68.91 -45.79 70.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.17 58.59 0.01 OUTLIER Glycine 0 C--O 1.228 -0.228 0 C-N-CA 119.19 -1.481 . . . . 0.0 114.47 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.4 mttp -121.75 114.78 21.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 169.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -96.8 93.43 6.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.126 0.488 . . . . 0.0 109.803 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.61 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 40.6 mt -94.21 107.58 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.783 -175.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -74.35 111.72 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -117.45 131.48 56.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.689 -176.251 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -89.56 106.71 18.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -134.86 155.37 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.386 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 43.0 mt-10 -93.95 172.14 8.42 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.4 -26.06 62.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -86.77 1.89 50.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.917 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -71.01 143.32 50.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.53 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 75.0 p -90.08 152.73 21.01 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.649 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 43.3 mm -60.16 -30.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -62.43 -48.03 81.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.939 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.14 -40.97 95.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.588 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 22' ' ' THR . 22.6 t -63.16 -41.57 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.125 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 90.3 mttt -57.73 -43.71 85.52 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -63.66 -39.53 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.761 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 96.9 mttt -64.51 -40.4 95.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.501 HD13 HG11 ' B' ' 5' ' ' VAL . 73.5 mt -71.81 -31.39 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.231 0.539 . . . . 0.0 110.281 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.495 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.8 tt0 -64.23 -31.74 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.05 175.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.67 -38.36 58.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 74.9 mmtt -68.05 -69.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.941 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -103.05 -12.3 17.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.608 -173.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.77 26.92 36.45 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.713 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.6 mt -87.62 126.99 60.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.661 -0.317 . . . . 0.0 110.195 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.0 Cg_exo -59.98 131.94 42.1 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.114 2.543 . . . . 0.0 112.687 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.466 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 32.9 Cg_exo -61.53 -34.82 84.62 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.349 2.699 . . . . 0.0 113.004 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 -31.48 68.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.229 0.537 . . . . 0.0 110.85 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -79.57 -28.22 41.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -71.84 124.32 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -131.7 107.92 9.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.858 171.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.502 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.5 mp -88.46 145.19 25.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.32 -176.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.442 HG21 ' HZ ' ' A' ' 60' ' ' PHE . 74.1 mt -130.31 123.09 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.755 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -113.88 95.68 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.394 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.96 44.88 25.51 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.967 0.413 . . . . 0.0 112.071 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.24 -19.06 55.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.46 112.7 13.26 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.84 113.59 11.17 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.502 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 60.2 mt -94.02 90.79 6.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.451 . . . . 0.0 110.991 -176.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -84.17 149.57 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.721 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.649 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.5 p30 -69.65 168.82 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.47 -62.83 0.62 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.585 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -76.17 172.32 13.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.642 0.258 . . . . 0.0 110.805 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.8 p -97.01 171.0 8.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.532 HD11 HG21 ' B' ' 26' ' ' VAL . 7.5 mp -68.36 -26.15 65.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.096 0.474 . . . . 0.0 109.915 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -67.07 -35.92 80.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.209 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.56 -20.58 65.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.055 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -112.13 5.88 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 62.11 40.44 11.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.677 173.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -77.81 133.47 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -92.62 172.52 8.31 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.567 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.513 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 22.7 mmtm -71.9 144.57 48.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.201 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 57.91 32.55 22.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.516 0.674 . . . . 0.0 111.129 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -81.96 159.95 23.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -104.6 111.01 23.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.289 0.566 . . . . 0.0 111.008 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.524 HD23 ' HB ' ' B' ' 3' ' ' ILE . 2.9 mm? -96.32 115.41 27.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.506 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 89.5 m-70 -82.1 111.6 18.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.599 HD23 HG22 ' B' ' 7' ' ' THR . 54.8 tp -89.03 112.24 23.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.487 HG22 HE22 ' A' ' 59' ' ' GLN . 44.8 t -104.34 133.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.391 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -89.48 133.85 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.963 0.411 . . . . 0.0 111.066 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -75.2 -23.66 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.368 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.466 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.328 178.375 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.6 -33.67 15.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.669 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -80.79 64.94 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.298 0.57 . . . . 0.0 109.591 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -91.66 -14.16 30.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.769 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 t -86.25 88.28 7.58 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.78 99.32 11.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.536 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -68.04 125.43 26.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.564 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -88.33 132.22 34.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.362 0.601 . . . . 0.0 112.201 -169.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -133.59 164.05 24.36 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.012 175.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -119.48 130.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 117.067 0.434 . . . . 0.0 109.943 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.655 HG21 ' HB ' ' A' ' 25' ' ' ILE . 1.9 p -81.69 121.64 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -93.49 -41.36 9.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -96.47 133.0 41.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.269 0.557 . . . . 0.0 111.782 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.634 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 14.4 t70 -80.42 97.36 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.827 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 90.2 t80 -113.33 118.09 33.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.324 -173.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.571 ' HA ' HG23 ' A' ' 24' ' ' THR . 26.5 mmt -90.13 121.23 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.869 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -93.89 131.95 38.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.46 -28.51 16.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.614 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -97.7 151.15 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.089 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.69 -27.0 63.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.244 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.92 -17.96 61.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.306 0.574 . . . . 0.0 110.142 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.654 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 51.4 mt-10 -95.42 151.58 19.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB3' HG13 ' A' ' 56' ' ' VAL . 57.9 tp -106.03 123.28 47.74 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.615 -177.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.571 HG23 ' HA ' ' A' ' 16' ' ' MET . 91.3 m -74.43 108.5 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 173.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.655 ' HB ' HG21 ' A' ' 11' ' ' VAL . 22.4 pt -109.92 115.18 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.41 0.624 . . . . 0.0 111.023 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -85.24 129.37 34.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.762 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.443 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 43.0 t -57.98 120.9 9.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.251 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.67 -6.65 35.79 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.566 -0.825 . . . . 0.0 113.329 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.55 -169.24 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.291 0.546 . . . . 0.0 110.336 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 48' ' ' VAL . 44.2 mmtm -117.65 139.35 51.13 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.16 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.757 HG21 HD12 ' A' ' 61' ' ' ILE . 23.5 m -131.59 147.69 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 110.864 177.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.6 ' CE2' HG22 ' A' ' 48' ' ' VAL . 46.4 m-85 -100.59 130.53 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.972 174.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -82.6 106.28 13.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.648 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -78.04 -64.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.616 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.664 ' H ' ' HB2' ' A' ' 44' ' ' MET . 6.0 t0 -130.38 136.43 49.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.727 175.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -134.75 9.22 3.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.497 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.63 -13.27 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.444 -176.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -62.85 -41.83 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 109.326 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -138.21 158.81 43.56 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.122 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -95.65 -42.53 8.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.533 ' HA ' HD22 ' B' ' 8' ' ' LEU . 5.1 m-20 -77.93 -49.72 13.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.965 0.412 . . . . 0.0 111.436 -175.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -111.1 132.81 53.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.389 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -113.57 164.55 13.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.664 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 70.3 mmm -95.31 110.85 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.574 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.414 ' SG ' HG13 ' A' ' 61' ' ' ILE . 98.1 m -121.56 152.33 39.35 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -127.69 125.27 39.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.834 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 31' ' ' VAL . 68.2 mt -63.84 125.44 24.39 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.6 HG22 ' CE2' ' A' ' 32' ' ' TYR . 77.8 t -58.0 -44.14 86.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.796 -176.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -87.8 -49.86 6.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.407 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.31 -30.2 67.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.525 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.21 88.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.695 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -82.49 132.41 35.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -112.53 148.9 33.52 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.83 -178.5 48.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.848 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.23 134.52 33.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 23' ' ' LEU . 26.7 m -139.5 156.65 71.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.971 175.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HB3' HG21 ' B' ' 70' ' ' VAL . 29.7 Cg_exo -62.95 133.55 42.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.545 2.163 . . . . 0.0 112.172 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.34 -48.7 65.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.643 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 5.3 pt20 -84.26 20.71 1.56 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -104.58 -13.11 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.757 HD12 HG21 ' A' ' 31' ' ' VAL . 51.0 mm -115.25 124.36 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.261 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 39.0 tt0 -116.41 114.75 40.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.526 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 37.7 Cg_exo -59.9 135.56 64.0 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 -177.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 66' ' ' ASP . 4.7 p -75.89 154.54 6.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 70.14 -42.86 0.53 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.557 0.743 . . . . 0.0 111.913 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.503 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 31.1 t70 -49.33 -71.73 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 123.402 0.681 . . . . 0.0 112.293 -176.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.503 ' HG2' ' OD2' ' A' ' 66' ' ' ASP . 73.2 mmtt -129.17 13.06 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.079 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -91.45 -16.83 26.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.81 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -151.51 98.6 2.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.306 0.574 . . . . 0.0 110.869 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 m -115.36 6.59 14.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.548 1.166 . . . . 0.0 108.063 173.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 C--O 1.245 0.839 0 CA-C-N 114.044 -1.434 . . . . 0.0 109.773 -175.812 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.469 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 19.7 ptt? . . . . . 0 CA--C 1.5 -0.953 0 CA-C-O 121.761 0.791 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 77.0 mt-30 -119.06 122.14 41.44 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.623 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.2 pt -117.35 140.51 39.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.687 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.38 93.79 9.66 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.723 HG13 HG13 ' B' ' 13' ' ' ILE . 2.7 p -87.77 106.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.171 0.986 . . . . 0.0 109.681 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 48.7 tttp -98.39 108.19 20.83 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.238 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.618 HG22 HD23 ' B' ' 69' ' ' LEU . 39.1 p -67.85 155.84 38.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.643 ' HA ' ' NE2' ' A' ' 59' ' ' GLN . 6.4 tt -65.66 -22.86 66.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.023 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -74.9 -11.43 60.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 111.575 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.26 5.07 43.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.769 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.423 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 21.5 tptp -85.85 93.5 8.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 4.0 m -88.55 107.43 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.098 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.723 HG13 HG13 ' B' ' 5' ' ' VAL . 12.6 pt -113.89 142.87 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.053 0.454 . . . . 0.0 111.349 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -91.44 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.901 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.767 HD12 HG12 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -101.45 125.56 48.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -173.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' B' ' 1' ' ' MET . 13.0 tp10 -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.699 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.767 HG12 HD12 ' B' ' 15' ' ' LEU . 0.5 OUTLIER -143.8 155.22 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.635 -176.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.67 145.79 32.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.649 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -59.28 -23.46 62.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -103.78 11.14 36.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.543 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.442 ' HB2' HG23 ' B' ' 17' ' ' VAL . 2.4 m-20 -75.01 146.62 41.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.657 0.265 . . . . 0.0 110.494 177.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 36.4 p -77.96 154.22 31.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.094 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' B' ' 50' ' ' LEU . 49.5 mm -61.22 -30.74 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.28 -51.05 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.608 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.6 t30 -68.91 -32.97 72.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.547 ' HA ' ' HD2' ' B' ' 29' ' ' LYS . 73.3 t -59.46 -44.18 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.332 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 99.1 mttt -63.35 -36.05 82.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.838 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -62.11 -41.03 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.978 0.418 . . . . 0.0 110.357 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.573 ' HE3' ' HB ' ' B' ' 17' ' ' VAL . 53.0 mttm -63.64 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.406 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.68 -33.81 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.054 0.454 . . . . 0.0 110.381 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.462 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 63.9 tt0 -66.96 -26.51 66.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.18 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.89 -42.67 23.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.205 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' B' ' 33' ' ' LYS . 14.6 tppt? -65.81 -66.96 0.48 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -102.48 -31.69 10.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.095 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.94 65.5 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.392 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.452 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 32.4 mt -123.61 133.46 24.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 10.3 Cg_endo -55.71 124.63 16.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.96 2.44 . . . . 0.0 112.611 176.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.9 Cg_exo -55.51 -42.76 64.75 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.616 2.877 . . . . 0.0 113.957 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.02 -36.82 80.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.337 0.589 . . . . 0.0 110.603 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.417 ' HG3' ' HB3' ' B' ' 74' ' ' ARG . 26.3 tt0 -72.24 -19.99 61.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.265 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.484 ' HB3' HD11 ' B' ' 69' ' ' LEU . 48.9 mt-30 -90.01 119.47 30.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.977 -174.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 79.8 mtt180 -115.26 108.49 16.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.046 172.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.553 ' HG ' HD13 ' B' ' 69' ' ' LEU . 6.0 mp -86.71 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.85 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.0 mt -119.08 119.79 61.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -118.82 116.79 27.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.219 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 20.06 10.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.957 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.634 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 97.94 -2.13 59.85 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -97.16 118.21 33.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.386 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.504 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 28.3 tt0 -77.77 127.65 32.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.494 ' HB3' HG13 ' B' ' 23' ' ' ILE . 26.0 mt -90.49 130.49 36.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.884 -172.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -83.24 149.54 26.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.79 -43.79 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.565 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.58 -0.6 80.2 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 121.093 -0.575 . . . . 0.0 114.062 -172.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.414 ' HD2' ' CZ ' ' B' ' 59' ' ' TYR . 64.4 mtt180 -105.95 159.72 15.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.208 0.504 . . . . 0.0 110.279 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.0 p -97.78 178.26 5.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.81 -27.39 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.037 0.446 . . . . 0.0 110.189 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -77.3 -31.56 54.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.049 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.98 -27.47 69.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.356 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.414 ' CZ ' ' HD2' ' B' ' 54' ' ' ARG . 94.3 m-85 -107.32 4.22 26.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.783 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 t30 56.04 68.26 0.89 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.626 0.726 . . . . 0.0 110.901 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -111.78 112.5 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.286 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -78.44 159.56 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.945 0.403 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.469 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 9.5 ptpp? -68.39 161.45 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 59.53 32.49 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.459 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -102.61 165.35 11.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.873 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -107.42 110.28 22.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.108 0.48 . . . . 0.0 110.884 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.76 138.9 37.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.648 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -96.05 123.83 39.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.618 HD23 HG22 ' B' ' 7' ' ' THR . 37.2 tp -102.92 101.62 11.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.219 0.533 . . . . 0.0 110.332 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.525 HG21 ' HB3' ' A' ' 57' ' ' PRO . 46.4 t -98.67 127.05 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.587 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.42 151.86 22.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.416 ' C ' ' H ' ' B' ' 74' ' ' ARG . 82.5 mtp180 -71.64 176.11 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.918 174.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.8 mt -83.49 22.43 1.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.542 0.687 . . . . 0.0 109.601 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.417 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 19.1 tpt85 -72.44 -32.66 66.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.925 178.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.52 34.65 5.27 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.966 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 CA-C-O 118.354 -1.248 . . . . 0.0 111.447 179.32 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.817 0.341 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.45 -13.2 52.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.644 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -68.91 111.23 4.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.719 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -123.88 134.72 53.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.936 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -100.1 -64.1 1.07 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.043 0.449 . . . . 0.0 110.214 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -150.8 162.91 39.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.868 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 52.0 mttp -68.4 119.29 12.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -177.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.43 150.07 26.27 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 153.3 24.49 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.606 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.611 HG12 HG22 ' A' ' 64' ' ' VAL . 42.6 mm -109.59 129.59 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 p -84.89 114.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.154 0.502 . . . . 0.0 110.163 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -84.87 -45.9 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.055 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.551 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 80.2 m-85 -109.28 135.09 50.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.304 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.97 149.7 49.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.075 -176.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' HB3' HG12 ' A' ' 25' ' ' ILE . 64.3 t80 -139.47 118.38 12.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.664 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.705 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.3 ptp -101.4 131.14 47.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.066 0.46 . . . . 0.0 109.989 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -97.96 146.06 25.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.284 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -103.58 -25.36 13.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -109.17 144.9 36.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -74.01 -8.54 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.417 0.627 . . . . 0.0 110.21 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.89 -26.96 64.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.412 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 44.0 mt-10 -95.51 148.72 22.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.003 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 44.4 tp -103.23 111.18 23.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 111.128 -173.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.705 HG23 ' HA ' ' A' ' 16' ' ' MET . 29.5 m -68.04 111.52 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.457 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.6 pt -120.75 146.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.25 -175.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HB2' ' NZ ' ' A' ' 26' ' ' LYS . 8.9 mtmp? -114.01 145.88 40.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 p -59.82 121.98 13.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.29 -14.88 27.94 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.666 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -70.44 153.84 42.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.293 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.744 ' HB2' ' HB ' ' A' ' 48' ' ' VAL . 41.8 mmtm -100.81 130.14 46.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.43 HG12 HD23 ' A' ' 47' ' ' LEU . 23.2 m -131.25 148.43 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.201 0.524 . . . . 0.0 112.141 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD2' HG22 ' A' ' 48' ' ' VAL . 7.4 m-85 -98.49 128.1 44.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.43 170.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 51.2 mt -83.34 95.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 84.0 mt -66.2 -58.68 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.836 -176.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.7 m-20 -126.01 99.84 6.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.743 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.415 ' HB3' HG21 ' A' ' 33' ' ' ILE . 7.7 p-10 -91.22 -13.06 33.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.974 174.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.99 9.54 42.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.836 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 23.7 ttpp -78.2 -49.21 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.473 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' TRP . 21.5 m -145.85 178.44 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -175.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.29 -38.93 14.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.01 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HB3' HD21 ' B' ' 8' ' ' LEU . 2.6 p30 -108.69 -36.13 6.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.798 -172.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.443 ' HB2' HD11 ' B' ' 73' ' ' LEU . 83.1 m95 -110.82 122.55 48.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -113.33 166.81 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.516 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 82.6 mmm -96.06 126.0 40.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 64.7 m -131.14 146.03 52.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.218 0.532 . . . . 0.0 111.495 177.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.404 ' HB2' HD11 ' A' ' 34' ' ' LEU . 59.2 tt0 -121.65 129.2 52.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.619 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' HG ' HD21 ' A' ' 23' ' ' LEU . 93.9 mt -63.58 120.86 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.529 0.204 . . . . 0.0 111.009 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.744 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 81.0 t -67.03 -31.06 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 0.0 109.951 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.16 3.19 31.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.774 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.5 t -149.93 -62.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.98 -13.26 9.14 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.737 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.52 139.94 57.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -121.32 161.32 22.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.556 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 179.99 177.7 48.15 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.223 -0.989 . . . . 0.0 112.815 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.47 131.85 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.64 0.257 . . . . 0.0 110.794 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.432 HG21 ' SG ' ' A' ' 45' ' ' CYS . 34.9 m -136.89 151.5 72.4 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.54 128.02 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.921 2.414 . . . . 0.0 111.962 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.44 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.443 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.761 ' HB3' ' HB3' ' B' ' 8' ' ' LEU . 7.0 pt20 -66.01 -8.38 22.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.12 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 13' ' ' TYR . 22.1 m-30 -113.63 -4.32 13.48 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.982 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -117.54 132.26 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -127.29 119.36 21.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.96 134.03 57.61 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.898 2.399 . . . . 0.0 112.634 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.611 HG22 HG12 ' A' ' 10' ' ' ILE . 48.6 t -66.21 129.85 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.209 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 73.75 -23.53 0.22 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.799 0.687 . . . . 0.0 111.258 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 64' ' ' VAL . 4.9 t70 71.92 138.06 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.876 0.87 . . . . 0.0 113.058 174.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -159.37 29.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.321 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.42 141.09 43.27 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.065 -174.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -86.08 93.88 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -84.78 138.03 32.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.428 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.448 -0.787 . . . . 0.0 109.557 179.725 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.484 ' HG3' ' HA ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.069 0.461 . . . . 0.0 110.654 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 77.0 mt-30 -83.65 142.13 31.01 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 177.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.414 HG23 ' SD ' ' B' ' 1' ' ' MET . 26.8 pt -123.66 139.71 49.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 167.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' B' ' 66' ' ' THR . 87.3 m-85 -96.93 106.59 18.95 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.883 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' B' ' 12' ' ' THR . 59.9 t -85.71 101.27 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.618 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -107.71 119.81 40.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p -79.86 167.97 19.86 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.761 ' HB3' ' HB3' ' A' ' 59' ' ' GLN . 1.8 pp -75.78 -5.64 46.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.901 0.382 . . . . 0.0 111.333 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 p -89.36 -40.13 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.384 . . . . 0.0 110.315 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.18 -15.55 1.7 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.817 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.29 107.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.706 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 4.6 m -119.85 105.16 10.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.248 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.425 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.4 pt -106.77 138.41 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.928 0.394 . . . . 0.0 111.232 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -86.57 118.66 26.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.391 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' B' ' 15' ' ' LEU . 15.1 tp -116.65 119.29 35.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.698 0.285 . . . . 0.0 111.131 -177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 tp10 -79.49 101.25 8.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.235 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.17 -157.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 5.6 tp10 -151.94 153.13 33.49 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.144 174.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.643 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 6.8 p -65.48 -24.25 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.38 13.85 12.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -101.26 171.08 7.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 38.8 p -102.4 148.08 25.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.67 0.271 . . . . 0.0 111.186 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -34.78 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.04 -45.53 86.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.161 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.56 -36.96 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 88.7 t -60.89 -42.21 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.404 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 93.0 mttt -54.73 -44.93 73.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.442 . . . . 0.0 110.807 176.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -64.37 -36.41 84.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.7 mtpp -69.82 -29.34 66.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.233 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.3 mt -72.77 -38.84 58.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.411 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 38.2 tt0 -62.21 -35.84 80.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.523 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 27.9 t70 -58.79 -28.92 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.942 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -80.69 -67.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.739 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.02 17.01 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.31 43.14 98.86 Favored Glycine 0 C--N 1.324 -0.13 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.137 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.411 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 23.7 mt -94.45 119.68 66.09 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.51 124.77 17.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.124 2.549 . . . . 0.0 112.882 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.404 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.6 Cg_exo -52.13 -39.33 71.07 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.609 2.873 . . . . 0.0 113.433 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.42 -17.14 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 111.176 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 32.1 tt0 -95.5 -5.25 43.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.601 -176.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -103.28 139.1 39.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -175.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' B' ' 49' ' ' GLN . 15.8 tpp180 -129.02 103.81 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.514 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.44 132.61 34.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.282 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.61 122.83 68.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.998 0.427 . . . . 0.0 110.749 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 88.6 t80 -122.22 116.61 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.203 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 22.95 13.72 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.357 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.478 ' O ' ' HG2' ' A' ' 16' ' ' MET . . . 95.19 -3.81 66.91 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.143 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.586 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.7 ttmm -96.39 125.32 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.789 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.457 ' HB3' ' HD2' ' B' ' 42' ' ' ARG . 45.5 mt-30 -79.25 138.2 37.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.083 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.6 mt -97.82 125.95 42.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.08 166.02 11.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.63 168.99 19.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.068 0.461 . . . . 0.0 111.413 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.96 -47.45 2.94 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.093 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.419 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 9.0 mmm180 -78.55 163.95 25.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 31.9 p -96.03 168.08 10.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.643 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 3.4 mm? -63.59 -40.2 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.588 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.6 m -62.93 -27.47 69.4 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.521 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.52 -34.85 77.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.586 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 94.7 m-85 -91.34 10.61 26.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.147 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 66.52 27.04 9.82 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.82 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.427 HD12 HD12 ' B' ' 56' ' ' LEU . 59.0 mt -79.15 138.81 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.902 0.382 . . . . 0.0 110.225 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -104.93 -175.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.664 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.437 ' HG2' ' HG2' ' B' ' 1' ' ' MET . 67.8 mttm -84.84 138.78 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.289 175.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 34.3 mt-10 68.7 25.02 6.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.293 0.568 . . . . 0.0 110.702 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.456 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 13.8 p -86.52 163.14 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.451 HG23 ' HB2' ' B' ' 4' ' ' PHE . 29.0 m -111.1 133.01 53.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.056 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.93 150.23 40.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.327 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -92.63 127.98 38.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.254 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.74 106.87 17.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.203 0.525 . . . . 0.0 110.404 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.84 153.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.32 153.0 17.89 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.544 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' B' ' 74' ' ' ARG . 40.8 mtm180 -88.21 119.51 28.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.292 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 42' ' ' TRP . 83.9 mt -78.01 23.32 0.27 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.308 0.575 . . . . 0.0 110.528 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.461 ' H ' ' C ' ' B' ' 72' ' ' ARG . 23.1 mtp180 -116.73 10.43 14.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.895 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.38 57.8 0.61 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.615 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 119.107 -0.83 . . . . 0.0 111.061 -178.749 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptp . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.681 0.277 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.61 -26.38 21.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.625 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m 63.16 86.46 0.12 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.192 0.52 . . . . 0.0 110.393 -177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -97.9 119.41 36.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.094 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 m -151.06 106.36 3.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.448 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -80.05 97.79 6.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.637 0.732 . . . . 0.0 109.647 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HG3' ' HB ' ' A' ' 33' ' ' ILE . 9.3 ptmt -88.57 149.6 23.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.375 -173.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -91.42 142.54 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.05 144.48 15.05 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.055 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.744 HG12 ' HG2' ' A' ' 30' ' ' LYS . 50.8 mt -110.81 113.24 43.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.406 HG21 ' HB ' ' A' ' 25' ' ' ILE . 1.4 p -68.32 122.47 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.116 0.484 . . . . 0.0 110.344 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.67 -30.57 17.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.038 -173.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.617 ' HB2' ' HD1' ' A' ' 60' ' ' PHE . 70.6 m-85 -127.97 151.69 48.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 -174.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.75 144.7 43.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.04 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.592 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 59.7 t80 -146.22 118.73 8.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.752 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.523 ' HA ' HG23 ' A' ' 24' ' ' THR . 86.8 mtp -85.32 145.9 27.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.757 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.681 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -115.23 149.27 38.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -102.67 -25.87 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.725 0.297 . . . . 0.0 111.003 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 t -129.26 169.28 15.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.548 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -75.23 -15.07 60.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.25 -35.31 79.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.538 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.681 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 36.3 mt-10 -92.41 175.65 6.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.083 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' HG ' ' A' ' 47' ' ' LEU . 66.3 tp -132.09 125.33 31.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.128 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.523 HG23 ' HA ' ' A' ' 16' ' ' MET . 21.8 m -76.88 103.56 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.592 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.0 pt -100.47 147.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.161 -175.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -104.88 138.7 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.763 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -65.16 106.13 1.24 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.82 5.4 27.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.014 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -94.9 173.67 7.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.744 ' HG2' HG12 ' A' ' 10' ' ' ILE . 36.0 mtmm -120.95 140.41 51.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.569 HG12 HD23 ' A' ' 47' ' ' LEU . 35.7 m -132.23 153.21 37.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.82 -178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.441 ' CE2' HG22 ' A' ' 48' ' ' VAL . 46.7 m-85 -97.34 128.54 44.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.669 ' HB ' ' HG3' ' A' ' 7' ' ' LYS . 64.5 mt -85.32 105.57 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 3.5 mm? -66.27 -54.8 20.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.103 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -140.64 135.3 31.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.25 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -105.16 -22.62 13.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.394 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -120.2 3.39 10.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.179 -168.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -61.23 -45.32 95.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.253 0.549 . . . . 0.0 109.911 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 35.0 m -106.3 -89.88 0.43 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.465 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 39' ' ' SER . 76.4 tttt 165.17 -55.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.863 0.727 . . . . 0.0 109.541 175.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.1 -46.63 8.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.767 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -93.73 131.99 38.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.091 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -116.01 164.89 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.577 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 42.7 mtp -99.61 126.43 45.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.444 ' SG ' HG12 ' A' ' 33' ' ' ILE . 84.8 m -138.98 161.48 37.26 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.198 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 42.3 tt0 -132.4 129.13 38.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.154 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 31' ' ' VAL . 95.4 mt -66.95 124.12 22.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.441 HG22 ' CE2' ' A' ' 32' ' ' TYR . 57.7 t -59.15 -50.25 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.364 0.415 . . . . 0.0 111.441 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -82.98 -51.89 7.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -64.85 -28.4 69.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.638 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.18 66.14 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.561 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -116.72 125.29 51.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.627 0.251 . . . . 0.0 110.662 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 18.9 t -109.0 148.41 30.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.246 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.25 -175.57 41.96 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.67 131.59 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 35.9 m -131.15 153.56 81.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 8.4 Cg_exo -73.55 126.53 10.96 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.87 2.38 . . . . 0.0 111.593 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.524 ' HB3' HD21 ' B' ' 8' ' ' LEU . . . -55.61 -27.59 50.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.571 HE22 ' HB3' ' B' ' 68' ' ' HIS . 7.6 pt20 -63.76 -12.1 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.617 ' HD1' ' HB2' ' A' ' 13' ' ' TYR . 44.4 m-85 -104.34 -7.3 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.704 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 33' ' ' ILE . 46.5 mm -105.43 130.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 111.688 -174.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -105.09 107.29 58.52 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.183 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.47 115.13 2.29 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.69 2.26 . . . . 0.0 112.167 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 p -102.89 37.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.983 0.896 . . . . 0.0 110.233 -175.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -56.48 -71.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.331 173.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -151.48 4.85 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.152 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -78.37 -44.86 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.739 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -84.13 -30.09 26.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.5 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.8 m80 63.71 -174.62 0.16 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.867 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -101.21 29.95 4.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.461 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.678 179.461 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.808 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 22.8 ptt? . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.155 0.502 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.38 127.91 34.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.439 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.43 HD12 HD12 ' B' ' 67' ' ' LEU . 35.9 pt -116.51 138.13 48.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.97 96.21 7.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.214 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.761 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.5 t -80.57 97.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.851 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.0 mttm -98.72 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.122 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.509 HG22 HD23 ' B' ' 69' ' ' LEU . 70.9 p -71.49 168.55 17.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.511 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.646 HD12 HG23 ' B' ' 70' ' ' VAL . 8.4 tt -61.13 -30.22 70.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.5 p -77.12 -7.69 56.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.2 27.03 22.06 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.263 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 14.0 mmmm -94.42 135.65 35.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -103.35 106.69 17.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.869 0.366 . . . . 0.0 110.792 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.761 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 67.8 mt -100.36 109.16 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.222 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -87.94 112.59 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.93 134.38 55.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -175.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -94.76 102.78 14.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.51 156.93 42.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.803 0.335 . . . . 0.0 110.689 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.39 158.46 15.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.786 0.327 . . . . 0.0 110.549 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 4.4 p -71.8 -20.78 61.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.302 176.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -76.35 -10.78 59.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.029 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -88.92 160.25 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 40.5 p -93.41 156.47 16.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.793 0.33 . . . . 0.0 111.262 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.527 HG22 ' HE3' ' B' ' 27' ' ' LYS . 49.0 mm -60.37 -37.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.594 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.98 -47.52 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.149 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.578 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 22.8 t30 -74.77 -34.02 62.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -174.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.673 HG21 HD11 ' B' ' 56' ' ' LEU . 74.5 t -64.77 -41.33 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 110.223 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.527 ' HE3' HG22 ' B' ' 23' ' ' ILE . 97.5 mttt -60.88 -40.16 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -74.47 -21.01 59.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 69.0 mttm -66.97 -43.36 83.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.165 0.507 . . . . 0.0 109.65 170.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.81 -32.03 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.059 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 21.5 tm0? -65.47 -32.58 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.642 175.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.44 -34.1 69.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -77.98 -72.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.287 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.44 -23.92 20.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 111.639 -174.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.92 40.9 6.08 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.128 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -103.25 121.8 47.46 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.8 Cg_exo -55.81 131.84 48.45 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.008 2.472 . . . . 0.0 112.29 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.9 Cg_exo -57.56 -39.14 90.79 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.141 2.561 . . . . 0.0 112.756 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.582 . . . . 0.0 110.366 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -78.49 -13.71 59.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.695 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.24 121.01 33.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -121.11 108.1 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.2 mt -83.15 136.29 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 61.7 mt -117.45 117.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.484 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -112.87 99.29 7.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.234 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 25.47 11.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.483 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.69 -26.57 9.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.103 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 28.8 mtpp -71.83 134.73 46.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 111.053 -177.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -89.83 114.27 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.957 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.1 mp -86.35 104.76 16.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -91.43 170.1 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.374 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.24 169.79 16.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.624 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.18 -24.55 31.81 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.815 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.413 ' HD2' ' CG ' ' B' ' 58' ' ' ASP . 38.3 mmt180 -108.7 169.7 8.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.083 0.468 . . . . 0.0 111.877 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.1 p -95.7 178.5 5.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.493 175.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.673 HD11 HG21 ' B' ' 26' ' ' VAL . 6.6 mp -76.04 -23.17 55.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 110.052 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.2 t -68.92 -35.55 76.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.03 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 31.2 m-20 -62.5 -35.35 79.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.441 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -89.78 6.08 43.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m120 62.34 33.05 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.647 0.592 . . . . 0.0 111.066 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.507 HD11 HD21 ' B' ' 50' ' ' LEU . 69.8 mt -72.98 135.85 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -114.59 -178.68 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.808 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 37.8 mtmm -71.04 140.55 50.79 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.804 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 63.74 33.29 13.06 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.891 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -76.9 146.14 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.279 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -95.37 106.6 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.71 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.43 HD12 HD12 ' B' ' 3' ' ' ILE . 95.3 mt -103.72 119.33 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.571 ' HB3' HE22 ' A' ' 59' ' ' GLN . 40.7 m-70 -89.87 126.44 35.71 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.672 178.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.509 HD23 HG22 ' B' ' 7' ' ' THR . 53.1 tp -96.73 103.61 15.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.646 HG23 HD12 ' B' ' 8' ' ' LEU . 4.8 p -98.16 136.43 29.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.26 140.67 29.24 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.243 0.544 . . . . 0.0 111.674 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -77.39 127.42 32.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 173.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.78 13.15 0.54 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -174.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -146.79 90.84 1.95 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.93 10.14 40.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.354 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.902 -0.943 . . . . 0.0 111.566 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 7.2 mmt . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.7 0.286 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.17 -175.95 5.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 m 65.41 -166.72 0.22 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.659 0.6 . . . . 0.0 110.594 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 30.2 tptt -119.46 159.31 24.51 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -72.38 -17.87 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.785 0.326 . . . . 0.0 111.32 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.605 ' HD3' ' HA ' ' A' ' 34' ' ' LEU . 97.4 mttt -119.48 173.21 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 -177.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 47.3 mtpt -99.93 175.11 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.052 0.453 . . . . 0.0 112.009 -169.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -127.91 149.17 50.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.119 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.8 166.24 34.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.192 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.55 HG12 ' HD2' ' A' ' 30' ' ' LYS . 62.4 mt -131.1 130.07 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.454 HG21 HD12 ' A' ' 25' ' ' ILE . 7.7 p -80.34 129.82 36.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.329 0.585 . . . . 0.0 110.699 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -95.74 -16.2 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.896 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 11' ' ' VAL . 96.8 m-85 -122.75 -174.91 3.03 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -102.26 163.67 12.11 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.472 ' HB3' HG12 ' A' ' 25' ' ' ILE . 61.8 t80 -156.05 116.01 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.022 0.439 . . . . 0.0 110.804 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mmm -94.39 120.2 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.979 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -94.54 157.07 16.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -130.87 -33.97 1.53 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.104 0.478 . . . . 0.0 109.944 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.6 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 12.3 t -84.42 152.32 24.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.592 -174.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.84 -20.61 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.596 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.641 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 55.4 mt-10 -81.53 170.98 15.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.126 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 45.5 tp -135.97 116.49 13.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.612 0.244 . . . . 0.0 110.809 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.8 m -71.93 113.85 9.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.529 177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' A' ' 15' ' ' PHE . 24.1 pt -123.49 153.32 29.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.263 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -118.28 157.32 27.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.209 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.21 112.94 1.71 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.72 0.13 29.0 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.227 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.96 145.05 54.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 111.061 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.55 ' HD2' HG12 ' A' ' 10' ' ' ILE . 13.5 tptp -96.04 118.26 32.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.337 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.48 153.48 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 112.485 -174.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 25.5 m-85 -97.63 132.88 42.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.668 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.3 mt -87.15 96.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 56.5 mt -71.94 -59.62 2.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.297 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -137.69 124.12 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.265 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 6.4 p-10 -121.02 25.64 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.583 0.706 . . . . 0.0 109.482 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -117.24 -29.15 5.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.391 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -37.71 81.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 111.026 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 169.01 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 40' ' ' LYS . 16.2 tptp -109.04 3.39 22.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.761 0.791 . . . . 0.0 109.667 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.66 ' HB3' HD11 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -120.71 -63.44 1.35 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.074 -173.393 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.487 ' HB3' ' HG ' ' A' ' 55' ' ' LEU . 80.6 m95 -98.61 123.53 42.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 36' ' ' ASP . 40.9 m0 -115.47 162.1 17.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.289 -176.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.569 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 69.7 mmm -92.31 106.57 18.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.733 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 87.1 m -115.96 141.08 48.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.096 0.474 . . . . 0.0 110.296 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -119.49 129.1 54.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.531 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' HG ' HD21 ' A' ' 23' ' ' LEU . 88.4 mt -64.64 116.84 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 32' ' ' TYR . 89.1 t -53.23 -55.12 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.76 -18.52 58.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.863 0.363 . . . . 0.0 111.905 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -102.9 -30.41 10.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.92 -172.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.04 -11.11 65.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -73.99 121.22 20.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.1 m -102.41 143.62 31.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.516 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.695 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -155.45 177.83 32.41 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.769 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 42' ' ' TRP . 20.1 tp -97.46 122.35 40.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -177.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.1 158.89 74.3 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.623 0.249 . . . . 0.0 111.146 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.85 129.8 13.83 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.997 2.465 . . . . 0.0 112.48 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.09 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.611 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -75.88 12.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.28 -6.28 4.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.06 128.48 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.622 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.615 ' HG3' ' HB3' ' A' ' 68' ' ' LYS . 7.8 tp10 -108.44 104.21 53.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.27 147.88 83.93 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.963 2.442 . . . . 0.0 112.268 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.458 ' HB ' ' HG2' ' A' ' 68' ' ' LYS . 7.5 p -123.16 117.71 52.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -103.99 -64.24 1.12 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -122.88 -43.01 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 168.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -138.22 135.23 35.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.615 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 10.1 mtmp? -64.91 -46.96 79.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.2 0.524 . . . . 0.0 110.886 -176.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 118.13 18.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.72 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 p -63.97 -32.98 74.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.151 0.501 . . . . 0.0 110.088 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.032 172.502 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' B' ' 18' ' ' GLU . 6.3 ptm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.365 0.602 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 78.0 mt-30 -93.97 128.35 40.25 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.909 177.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.464 HD12 HD12 ' B' ' 67' ' ' LEU . 27.5 pt -117.55 142.61 30.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.025 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -96.72 93.84 6.95 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.31 119.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.667 0.746 . . . . 0.0 110.568 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -103.34 114.66 29.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.736 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.606 HG22 HD23 ' B' ' 69' ' ' LEU . 80.9 p -74.1 178.14 5.24 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 41' ' ' ASP . 3.5 tt -50.48 -52.22 40.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.396 176.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -26.24 65.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.854 -173.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.12 -6.4 12.03 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.462 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.416 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.0 tptm -58.65 114.49 2.52 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.208 -0.496 . . . . 0.0 110.08 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.8 m -97.97 118.32 34.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.966 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.65 122.09 68.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.2 m -80.23 110.91 16.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.57 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.16 129.49 55.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 -172.824 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.76 107.49 18.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.163 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.57 HG13 HD12 ' B' ' 15' ' ' LEU . 34.6 m -134.05 -177.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.337 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 47.7 mt-10 -128.9 170.91 12.83 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.459 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 5.5 p -66.79 -32.74 74.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.162 0.506 . . . . 0.0 110.25 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -79.56 -4.57 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.111 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -66.64 144.16 56.56 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.029 175.553 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 26' ' ' VAL . 31.8 p -87.05 149.32 24.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.52 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 50.1 mm -55.9 -34.37 37.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 36.8 t70 -72.63 -32.11 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.104 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -65.05 -39.37 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.348 0.594 . . . . 0.0 109.579 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 22' ' ' THR . 16.3 t -63.78 -39.7 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.654 176.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 95.9 mttt -56.47 -47.42 79.26 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.557 175.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -60.41 -40.34 90.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.935 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HB3' HD11 ' B' ' 15' ' ' LEU . 99.6 mttt -66.59 -29.21 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -80.71 -40.99 19.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.012 0.434 . . . . 0.0 110.47 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.65 -34.78 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.433 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.34 -25.81 50.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.028 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -107.82 -60.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.881 -174.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.429 ' HB3' HG13 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -88.19 -13.4 41.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.764 0.316 . . . . 0.0 111.804 -176.281 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.07 60.55 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.663 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.466 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 62.6 mt -89.01 118.49 69.27 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.486 0.184 . . . . 0.0 110.568 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.537 ' HB2' ' OD1' ' B' ' 39' ' ' ASP . 9.3 Cg_endo -54.14 135.26 63.87 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.173 2.582 . . . . 0.0 112.494 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -57.05 -33.57 95.97 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.399 2.732 . . . . 0.0 113.004 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.537 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 16.8 p-10 -72.11 -23.93 61.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.668 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 59.0 tt0 -82.87 -26.82 31.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.29 0.567 . . . . 0.0 110.144 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.433 ' HG3' HG22 ' B' ' 36' ' ' ILE . 48.1 mt-30 -77.59 111.42 13.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.17 -175.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -113.4 112.79 24.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.443 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.9 mm? -86.67 134.59 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -177.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -124.74 128.48 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.131 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -112.76 94.63 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.331 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.53 17.22 4.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.509 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.01 -24.4 6.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.365 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' B' ' 48' ' ' LYS . 4.7 ttmp? -85.42 118.1 24.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -73.82 136.01 43.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.443 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 41.7 mt -106.96 113.76 27.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.36 151.71 20.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.746 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.475 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.2 p-10 -74.07 159.14 33.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.49 13.14 68.39 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -171.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -134.28 157.89 45.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -102.58 170.45 8.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.7 mp -72.6 -28.24 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -62.04 -37.54 85.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.66 -53.23 60.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.449 -176.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -84.73 3.4 37.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.297 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 54.22 65.25 1.56 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 111.039 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.9 mt -94.14 122.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.01 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -72.94 164.58 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.534 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.27 156.84 20.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 38.3 mt-10 64.96 22.66 12.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.387 0.613 . . . . 0.0 109.937 -176.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 p -82.97 163.61 20.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.36 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -109.76 125.45 52.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.464 HD12 HD12 ' B' ' 3' ' ' ILE . 88.9 mt -115.71 140.31 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.017 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -98.83 130.47 45.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.718 0.294 . . . . 0.0 110.224 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.606 HD23 HG22 ' B' ' 7' ' ' THR . 56.4 tp -106.1 98.47 8.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.404 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.14 130.3 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' B' ' 8' ' ' LEU . 2.9 mm? -92.95 125.99 37.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.323 0.583 . . . . 0.0 111.697 -171.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.668 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 65.7 ttt180 -72.38 112.94 8.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.11 55.89 0.59 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -165.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 43.93 80.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.346 1.058 . . . . 0.0 112.529 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.37 -151.84 13.44 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.476 -1.18 . . . . 0.0 111.568 178.51 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.794 0.331 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.95 86.02 6.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.157 0.503 . . . . 0.0 111.055 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m -124.75 148.28 48.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.033 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp 64.69 83.13 0.17 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.676 0.61 . . . . 0.0 110.505 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -126.08 -35.95 2.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.374 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 33' ' ' ILE . 71.6 mmtt 62.74 -167.3 0.21 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.814 177.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.624 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 61.9 mttp -86.49 160.78 18.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -109.43 145.42 36.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.68 149.6 21.58 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.526 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.498 HG13 HG22 ' A' ' 64' ' ' VAL . 68.9 mt -115.33 111.74 36.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 25' ' ' ILE . 2.9 p -72.11 133.81 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 111.173 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.41 -35.7 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.959 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -100.73 150.75 22.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 0.0 111.054 -176.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.429 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 11.2 m-20 -87.12 91.68 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.92 126.71 34.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.293 -174.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -93.82 123.19 37.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 124.35 32.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.804 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -76.89 -66.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.054 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -83.63 170.3 14.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.72 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -77.59 -20.84 53.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 109.924 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.99 -20.84 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.983 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -91.63 158.35 16.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.573 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.2 tp -125.38 126.28 44.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 0.0 111.455 -176.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -73.64 112.92 10.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.26 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.56 HD12 HG21 ' A' ' 11' ' ' VAL . 7.7 pt -116.45 144.57 23.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -105.6 143.04 34.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.923 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -58.38 116.98 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.062 0.458 . . . . 0.0 110.553 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.19 -10.29 31.35 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.714 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.35 146.06 55.04 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.149 0.5 . . . . 0.0 110.679 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.9 tppt? -97.69 118.53 34.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 47' ' ' LEU . 35.3 m -124.61 150.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.281 0.563 . . . . 0.0 111.692 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -98.35 134.4 41.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.359 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.624 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 49.7 mt -93.22 100.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.897 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.44 -63.95 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.547 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.66 ' H ' ' HB2' ' A' ' 44' ' ' MET . 47.9 t0 -112.2 125.66 54.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.2 p-10 -137.4 -26.65 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -172.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.29 -22.12 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.068 -0.395 . . . . 0.0 111.873 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -36.8 74.82 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -136.82 118.87 15.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.788 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -90.36 -6.24 55.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.097 0.475 . . . . 0.0 110.566 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' B' ' 8' ' ' LEU . 4.1 m-20 -84.66 -49.76 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -131.37 127.63 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.984 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.429 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 35.9 m0 -101.97 157.46 16.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.032 0.444 . . . . 0.0 111.614 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.66 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.6 mmm -92.4 102.04 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.995 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.581 ' SG ' HD23 ' A' ' 23' ' ' LEU . 29.6 p -100.57 146.81 26.65 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.485 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 50.0 tt0 -125.67 124.99 42.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.0 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.629 HD23 HG12 ' A' ' 31' ' ' VAL . 90.9 mt -76.12 133.93 40.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 30' ' ' LYS . 80.7 t -69.5 -36.81 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.84 -70.73 0.19 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 p -77.05 -50.64 12.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.904 0.383 . . . . 0.0 111.41 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.55 -0.25 29.24 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.367 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.6 155.76 40.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.636 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -131.19 160.85 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.618 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -179.44 169.3 40.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.866 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.96 130.94 35.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.626 0.251 . . . . 0.0 110.682 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 HD13 ' A' ' 25' ' ' ILE . 27.1 m -140.2 157.18 69.43 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.308 177.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.4 131.22 44.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.796 2.33 . . . . 0.0 112.511 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.44 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.225 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.541 HE22 HG22 ' B' ' 70' ' ' VAL . 11.9 pm0 -85.01 3.76 37.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.859 0.361 . . . . 0.0 111.361 -174.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -91.59 -9.2 45.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.073 0.464 . . . . 0.0 110.271 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.427 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 41.4 mm -111.12 126.58 68.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.433 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -92.65 107.88 27.48 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.455 ' HG2' ' HD2' ' A' ' 68' ' ' LYS . 27.3 Cg_exo -62.18 129.03 25.63 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.298 1.998 . . . . 0.0 111.054 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 10' ' ' ILE . 4.9 t -76.01 78.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.785 0.802 . . . . 0.0 109.79 -177.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 65' ' ' ARG . 38.8 ttt-85 -163.91 -54.58 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.103 -1.408 . . . . 0.0 107.32 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -170.47 -173.16 1.37 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.293 -1.321 . . . . 0.0 108.41 173.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.513 ' HE2' ' HB2' ' A' ' 69' ' ' HIS . 7.0 ttpm? -69.75 -19.12 63.54 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 63.8 tttm 59.43 42.17 18.29 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.574 0.702 . . . . 0.0 110.228 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.513 ' HB2' ' HE2' ' A' ' 67' ' ' LYS . 15.7 t60 -97.14 135.02 39.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.795 -175.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.2 p 49.16 93.9 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.228 0.955 . . . . 0.0 113.053 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 C--O 1.244 0.79 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.821 -179.755 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.462 ' HB2' ' HG2' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -128.7 141.91 51.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.383 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.523 HD12 HD12 ' B' ' 67' ' ' LEU . 37.3 pt -125.41 158.34 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -106.03 107.54 18.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.119 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.3 t -84.54 98.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -101.73 110.23 22.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.717 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.654 HG22 HD23 ' B' ' 69' ' ' LEU . 62.5 p -82.61 -174.45 5.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.496 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.642 HD13 ' HA ' ' A' ' 41' ' ' ASP . 25.3 mt -74.11 -31.71 62.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.539 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 p -90.41 9.09 30.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.901 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.09 49.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.753 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -62.86 117.34 6.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.871 0.367 . . . . 0.0 110.201 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 17.2 m -123.88 114.11 19.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.415 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.426 HG13 ' HB ' ' B' ' 5' ' ' VAL . 20.9 pt -108.76 145.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.451 . . . . 0.0 111.283 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -90.62 112.02 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.712 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -106.8 128.12 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.876 -172.173 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -80.47 106.38 12.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.472 0.653 . . . . 0.0 111.015 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.712 HG13 HD12 ' B' ' 15' ' ' LEU . 15.8 m -141.64 153.08 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.927 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 4.6 tp10 -111.62 173.24 6.44 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 7.2 m -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 0.0 110.409 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -81.27 -8.77 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.968 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -70.19 128.1 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.177 0.513 . . . . 0.0 110.904 -178.311 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.474 ' O ' HG23 ' B' ' 26' ' ' VAL . 9.9 p -81.29 151.11 28.22 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.962 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.557 HG22 ' HE3' ' B' ' 27' ' ' LYS . 43.1 mm -57.04 -40.42 72.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.677 0.275 . . . . 0.0 110.583 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.56 -43.96 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.409 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -70.19 -39.36 75.27 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.525 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 22' ' ' THR . 48.9 t -58.84 -42.47 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.557 ' HE3' HG22 ' B' ' 23' ' ' ILE . 98.6 mttt -58.3 -45.26 88.34 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.194 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.5 p -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 111.189 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HB3' HD11 ' B' ' 15' ' ' LEU . 95.3 mttt -67.15 -38.99 86.44 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.4 mt -71.0 -35.25 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.94 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.42 -24.31 66.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.08 -32.13 66.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 0.0 110.546 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -92.68 -63.05 1.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.729 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.37 -24.11 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.03 45.6 25.62 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.076 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.9 130.34 23.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.8 Cg_endo -56.54 129.93 37.34 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.964 2.443 . . . . 0.0 112.385 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -59.75 -27.47 85.02 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.281 2.654 . . . . 0.0 112.622 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.7 -35.56 80.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.358 0.599 . . . . 0.0 110.678 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.464 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 23.5 tt0 -81.9 -31.59 31.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.997 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.437 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 49.4 mt-30 -79.89 121.16 25.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.037 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -131.92 116.61 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.355 0.598 . . . . 0.0 110.435 166.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.435 HD13 HD13 ' B' ' 67' ' ' LEU . 63.9 mt -81.18 132.61 35.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.289 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.401 HD12 HG21 ' B' ' 70' ' ' VAL . 55.1 mt -119.51 126.12 75.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.018 0.437 . . . . 0.0 110.257 176.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -127.8 116.16 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.2 25.88 15.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.44 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 98.41 -14.17 62.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.754 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -85.95 129.38 34.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -86.94 115.8 24.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.467 HD21 HD11 ' B' ' 61' ' ' ILE . 10.0 mp -70.29 112.9 6.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 9.3 tp10 -64.88 146.98 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.584 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.37 -37.42 77.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.709 -174.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' B' ' 51' ' ' GLU . . . -99.04 26.21 25.18 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.294 -176.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.528 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 10.3 mmt180 -107.39 170.39 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.078 0.439 . . . . 0.0 111.159 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -106.94 167.63 9.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.12 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.56 -26.4 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.026 0.441 . . . . 0.0 110.446 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 34.3 t -69.42 -34.43 74.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.719 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -64.27 -36.35 83.8 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.849 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.417 ' CZ ' ' HA ' ' B' ' 50' ' ' LEU . 82.5 m-85 -90.92 1.68 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 58.86 71.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.814 0.816 . . . . 0.0 110.267 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.467 HD11 HD21 ' B' ' 50' ' ' LEU . 69.2 mt -110.93 125.22 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.708 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -99.28 -176.17 3.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' B' ' 1' ' ' MET . 8.6 mtmp? -67.95 140.74 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.695 0.283 . . . . 0.0 111.27 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 67.33 20.18 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.575 171.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.6 m -70.86 133.09 46.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.712 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.3 m -88.78 114.79 25.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.866 0.365 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.523 HD12 HD12 ' B' ' 3' ' ' ILE . 81.6 mt -97.37 129.35 44.63 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.782 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.456 ' HB3' HE21 ' A' ' 59' ' ' GLN . 91.6 m-70 -85.62 109.12 18.34 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.654 HD23 HG22 ' B' ' 7' ' ' THR . 43.8 tp -83.67 104.18 13.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.024 0.44 . . . . 0.0 110.573 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.541 HG22 HE22 ' A' ' 59' ' ' GLN . 44.8 t -101.11 132.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.464 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 2.8 mm? -97.02 132.62 42.64 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.265 0.555 . . . . 0.0 111.074 -173.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -85.05 130.85 34.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.48 90.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.464 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -136.49 107.45 6.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.651 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.24 73.99 1.93 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.873 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.524 -1.153 . . . . 0.0 111.767 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.1 -44.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.438 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 51.58 85.99 0.04 OUTLIER 'General case' 0 C--O 1.237 0.398 0 O-C-N 124.009 0.818 . . . . 0.0 111.084 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 24.1 ttpp 63.47 89.42 0.09 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.982 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -73.41 148.77 43.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.276 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.794 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -78.84 149.42 32.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.311 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.711 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 91.4 mttt -86.68 157.59 19.63 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 8' ' ' ARG . 62.0 mtt85 -126.66 141.21 51.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.57 178.94 30.27 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.95 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -131.33 135.57 59.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 29' ' ' ASP . 2.4 p -76.19 122.91 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 110.294 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -98.09 -29.76 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.015 -172.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 89.0 m-85 -119.44 158.46 26.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.974 0.416 . . . . 0.0 111.214 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.556 ' HB3' ' HA3' ' B' ' 47' ' ' GLY . 18.7 t0 -80.36 123.91 28.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.691 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.555 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 79.4 t80 -128.51 110.18 12.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.958 0.408 . . . . 0.0 111.293 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.731 ' HA ' HG23 ' A' ' 24' ' ' THR . 25.4 ptm -91.08 130.42 36.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.841 173.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -90.71 153.81 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.64 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.53 ' HG2' ' NH2' ' B' ' 42' ' ' ARG . 11.4 pt-20 -116.93 -12.24 10.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.038 0.447 . . . . 0.0 109.975 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 m -121.63 157.01 31.74 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.899 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -74.08 -25.9 60.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.45 -23.33 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.662 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 45.1 mt-10 -77.26 171.41 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.147 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.537 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 50.3 tp -127.56 109.74 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.428 177.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.731 HG23 ' HA ' ' A' ' 16' ' ' MET . 33.7 m -64.95 105.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.944 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.555 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 15.1 pt -109.21 138.52 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.3 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -106.61 127.59 53.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.852 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -52.12 132.44 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.414 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -14.19 30.77 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.115 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.442 ' O ' HG12 ' A' ' 11' ' ' VAL . 37.3 t0 -86.62 153.13 22.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 110.074 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 80.9 tttt -91.54 137.05 32.67 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 61' ' ' ILE . 16.3 m -129.78 147.6 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.389 0.614 . . . . 0.0 111.678 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' CE2' HG22 ' A' ' 48' ' ' VAL . 60.4 m-85 -98.53 123.72 42.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.482 173.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.8 mt -84.92 102.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.995 0.426 . . . . 0.0 109.947 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 89.0 mt -66.54 -46.82 74.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.836 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.571 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 5.8 t0 -153.31 142.63 21.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.062 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -110.48 -11.49 14.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.217 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 55.0 mtmt -141.71 27.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.848 -173.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 28.1 mmtm -69.97 -47.49 62.07 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 m -105.54 -5.81 19.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.554 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 80.6 tttt 70.17 -69.45 0.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.084 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.572 ' HB3' HD22 ' B' ' 8' ' ' LEU . 21.1 m-20 -79.57 -17.6 53.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.59 0.71 . . . . 0.0 110.227 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' HH2' ' OE2' ' A' ' 22' ' ' GLU . 12.0 m95 -115.85 132.94 56.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.954 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -111.03 159.07 18.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.244 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.452 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 18.9 mtp -108.21 112.7 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.9 m -124.69 148.13 48.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.068 0.461 . . . . 0.0 111.615 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 37.2 tt0 -121.85 129.76 52.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.213 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 31' ' ' VAL . 90.8 mt -68.58 134.91 50.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.543 HG22 ' CE2' ' A' ' 32' ' ' TYR . 73.6 t -63.2 -51.21 74.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -69.56 -60.88 2.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.875 0.369 . . . . 0.0 111.481 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.3 p -74.16 -39.55 63.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.03 4.18 60.16 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.037 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -66.98 121.91 16.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.304 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 2.6 m -116.29 135.74 53.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.19 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -163.68 -176.26 35.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.62 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.63 132.13 35.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.818 0.342 . . . . 0.0 110.693 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.93 154.69 77.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 49.3 Cg_endo -71.64 142.76 40.64 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.403 2.069 . . . . 0.0 112.398 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -25.77 67.8 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 47.7 mt-30 -70.34 -3.76 18.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.509 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 4.1 m-85 -114.87 -8.2 12.57 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.985 -170.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 31' ' ' VAL . 44.1 mm -115.65 127.85 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 111.13 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.57 108.29 58.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.483 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.578 ' HD2' ' HD2' ' A' ' 68' ' ' LYS . 32.0 Cg_exo -59.04 127.4 24.1 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.473 2.115 . . . . 0.0 111.533 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m -91.84 28.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.726 -173.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -77.42 85.46 3.81 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 65.84 -87.99 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.905 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -147.22 -7.47 0.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -176.774 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 51.0 mtpt 69.45 115.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.296 0.57 . . . . 0.0 110.98 -176.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -98.73 81.52 2.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.701 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.3 m 58.45 64.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.78 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 26.6 tt0 . . . . . 0 C--O 1.243 0.724 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.709 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.401 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 121.193 0.521 . . . . 0.0 110.574 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 94.6 mt-30 -81.62 140.28 34.52 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.886 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -117.79 143.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.415 171.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -99.06 92.64 5.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.708 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.732 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -89.67 109.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.673 0.749 . . . . 0.0 110.192 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.8 mttp -95.8 113.63 25.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.815 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 81.2 p -71.9 159.64 33.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.849 -177.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 41' ' ' ASP . 3.2 tt -58.99 -33.66 70.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.15 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -66.33 -36.8 83.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.35 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.12 47.39 0.2 Allowed Glycine 0 CA--C 1.505 -0.544 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.762 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 16.4 tppt? -128.7 112.96 14.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.603 0.24 . . . . 0.0 110.577 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.2 m -83.09 95.93 8.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.438 . . . . 0.0 110.122 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.732 ' HB ' HG13 ' B' ' 5' ' ' VAL . 62.2 mt -90.7 136.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.309 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -99.04 113.07 25.09 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -117.75 135.19 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.788 -175.481 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -92.27 105.92 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.34 179.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 28.5 tt0 -122.18 151.06 41.39 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.915 -0.491 . . . . 0.0 110.469 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -58.79 -28.5 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.424 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -95.06 12.65 27.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.549 -179.343 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.569 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -80.93 161.14 24.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.687 178.375 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.0 p -87.56 152.61 22.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.627 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.1 mm -60.92 -30.75 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.42 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.073 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -61.84 -45.86 91.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.745 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 65.2 t -58.83 -45.83 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.734 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 83.5 mttt -58.74 -42.65 89.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.314 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 t -65.1 -39.0 92.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.455 . . . . 0.0 110.766 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' B' ' 15' ' ' LEU . 30.2 mtpp -70.42 -29.0 65.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.7 mt -74.76 -35.63 37.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.32 -32.21 71.01 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.176 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.79 -33.5 74.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.321 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -87.34 -58.78 2.46 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.636 -174.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -91.79 -15.34 28.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 35.52 63.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.23 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.41 HG22 ' HG3' ' B' ' 41' ' ' GLN . 59.7 mt -106.02 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -177.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 73.6 Cg_exo -50.89 131.37 34.17 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.168 2.578 . . . . 0.0 112.777 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.44 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 23.9 Cg_exo -64.24 -30.37 64.22 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.182 2.588 . . . . 0.0 112.496 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.52 -24.97 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.17 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 35.9 tt0 -90.02 -36.44 14.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.679 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.454 ' HB3' HD11 ' B' ' 69' ' ' LEU . 26.6 mt-30 -63.74 117.12 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.53 ' NH2' ' HG2' ' A' ' 18' ' ' GLU . 60.5 mtp180 -119.96 120.51 36.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.809 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.7 mt -97.53 132.72 42.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.22 128.47 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.186 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -130.64 114.21 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.958 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.59 18.86 9.9 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.556 ' HA3' ' HB3' ' A' ' 14' ' ' ASP . . . 99.85 -10.3 60.48 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -87.68 129.41 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.72 123.33 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.7 mp -82.5 105.61 13.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.992 0.425 . . . . 0.0 110.392 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -89.9 133.99 34.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.627 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.7 p-10 -76.51 141.61 41.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.13 -173.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.08 -30.15 6.7 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -89.23 -178.19 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 48.3 p -107.99 168.85 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.54 176.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 18' ' ' GLU . 97.3 mt -68.65 -23.15 64.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.226 0.536 . . . . 0.0 110.303 176.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.1 t -71.11 -21.61 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.49 -33.67 74.18 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' B' ' 50' ' ' LEU . 62.1 m-85 -106.17 11.19 31.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 52.57 48.91 21.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.236 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.34 126.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -90.1 -176.14 4.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.246 -176.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 93.7 mttt -74.65 146.38 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.952 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 67.43 24.39 8.84 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 172.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -79.99 151.34 30.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.432 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -98.58 129.48 45.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.144 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 77.8 mt -117.35 142.91 46.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.429 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -103.75 127.14 51.25 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.283 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.595 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 62.1 tp -97.91 107.21 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.189 0.519 . . . . 0.0 111.118 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.2 t -104.84 123.79 59.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.534 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.12 138.82 41.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 60.8 ttm-85 -67.61 -25.77 65.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.087 176.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 23.8 tp 56.88 44.39 23.27 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.388 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -85.26 72.3 10.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.885 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.59 -72.83 0.7 Allowed Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.756 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 118.009 -1.439 . . . . 0.0 111.075 179.041 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.895 0.379 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.35 119.08 34.18 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -56.4 -62.16 1.91 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.015 0.436 . . . . 0.0 109.847 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -142.2 -75.27 0.29 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 173.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -145.77 -49.56 0.23 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 169.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -135.73 153.7 51.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 169.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.752 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 43.6 mttp -84.85 165.24 17.89 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.506 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -126.03 140.56 52.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.104 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -148.25 167.3 29.02 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.44 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.513 ' CD1' ' HB ' ' A' ' 64' ' ' VAL . 2.4 mp -113.51 125.38 70.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 p -75.73 116.59 18.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.422 0.63 . . . . 0.0 110.432 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.453 ' OE1' ' HE2' ' A' ' 68' ' ' LYS . 15.6 mm100 -83.6 -36.86 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.927 -172.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.8 147.01 49.55 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.196 -0.201 . . . . 0.0 110.75 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.08 149.66 47.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.005 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.598 ' HB3' HG12 ' A' ' 25' ' ' ILE . 71.0 t80 -144.34 109.94 5.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.861 0.363 . . . . 0.0 110.316 177.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.3 mmt -89.64 107.72 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.622 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -77.02 177.71 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.724 -175.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -141.62 -41.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.113 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -86.91 170.32 11.73 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -78.0 -17.2 57.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.382 . . . . 0.0 110.396 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.72 -36.81 78.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.579 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 1.7 mp0 -87.86 148.32 24.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.08 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.54 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 60.0 tp -111.69 127.8 55.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.291 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -73.08 101.24 3.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.598 HG12 ' HB3' ' A' ' 15' ' ' PHE . 20.6 pt -103.09 145.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -114.11 128.34 56.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.124 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.6 t -55.38 122.08 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.16 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.81 -3.84 45.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.691 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.24 178.5 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -112.2 120.42 41.72 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 28.7 m -122.14 137.39 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.4 0.619 . . . . 0.0 112.255 -177.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CD2' HG22 ' A' ' 48' ' ' VAL . 10.5 m-85 -87.95 117.65 26.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.616 170.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.752 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 60.8 mt -82.29 106.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.514 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 61.8 mt -69.25 -41.57 76.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.837 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 13.6 t70 -161.48 141.03 10.27 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.999 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HB3' HG21 ' A' ' 33' ' ' ILE . 13.9 p-10 -138.76 19.14 2.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.839 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -123.88 -34.35 3.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.028 -172.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 43.6 mmtm -65.83 -27.42 68.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.684 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -133.85 145.76 49.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.95 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -92.76 -27.22 17.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -81.81 -69.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.471 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -104.81 137.96 41.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.916 0.389 . . . . 0.0 110.48 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.5 m0 -113.54 161.7 17.06 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.514 ' HG3' ' HB2' ' A' ' 34' ' ' LEU . 7.4 ptp -113.88 123.8 50.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.177 178.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.56 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 29.4 p -125.09 164.24 20.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.455 -178.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 34.8 tt0 -133.37 122.27 23.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.883 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.445 HD23 HG12 ' A' ' 31' ' ' VAL . 89.8 mt -60.73 123.7 18.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.585 HG22 ' CD2' ' A' ' 32' ' ' TYR . 97.3 t -60.33 -47.6 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -41.95 62.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.683 0.278 . . . . 0.0 110.947 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -83.38 -31.72 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.717 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.93 34.73 58.67 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.662 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 46' ' ' GLN . 26.6 mtpp -112.68 134.55 54.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -118.44 149.95 40.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -175.52 -178.87 45.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.41 136.82 32.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.477 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.89 157.65 71.27 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.278 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.629 ' HB3' HG21 ' B' ' 70' ' ' VAL . 24.0 Cg_exo -64.06 132.31 33.88 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.431 2.087 . . . . 0.0 111.839 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -28.94 62.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 111.726 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.73 0.44 17.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.9 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -110.44 -5.69 15.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.488 HD12 HG21 ' A' ' 31' ' ' VAL . 43.2 mm -120.43 138.14 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.199 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 9.6 tp10 -115.17 106.76 50.77 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.682 173.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 62' ' ' GLU . 18.0 Cg_endo -60.79 128.5 25.82 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.72 2.28 . . . . 0.0 111.774 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.513 ' HB ' ' CD1' ' A' ' 10' ' ' ILE . 4.8 p -102.54 148.42 7.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.038 0.447 . . . . 0.0 110.598 -175.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.851 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 12.9 ptm180 -140.68 -82.15 0.24 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.985 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.851 ' H ' ' HG3' ' A' ' 65' ' ' ARG . 6.9 m-20 -92.03 -44.97 8.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -165.73 155.84 12.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.816 -1.083 . . . . 0.0 108.922 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' HE2' ' OE1' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -112.88 -7.34 13.76 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.822 171.674 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -84.27 123.43 30.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.1 t -166.08 -177.47 4.19 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.674 179.768 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.749 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.192 0.52 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -87.73 134.17 33.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.569 ' HB ' HD13 ' B' ' 67' ' ' LEU . 34.6 pt -118.51 135.13 59.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 172.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -89.06 101.87 14.52 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -87.97 99.01 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.212 0.529 . . . . 0.0 110.671 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -81.9 109.24 16.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.505 174.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.586 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 47.4 p -79.21 153.6 29.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.934 0.397 . . . . 0.0 110.343 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 8' ' ' LEU . 5.3 tt -65.25 -20.57 66.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.694 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.8 p -78.17 -3.8 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.401 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 30.0 8.12 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.775 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.469 ' HB2' ' OG1' ' B' ' 7' ' ' THR . 48.6 mmtm -116.12 169.66 9.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -142.22 107.75 5.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.6 mt -108.26 113.33 43.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.695 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.0 m -72.16 112.32 8.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.841 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.64 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -112.28 124.61 52.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.58 113.57 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.413 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.64 HG13 HD12 ' B' ' 15' ' ' LEU . 12.0 m -140.86 157.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.683 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.618 ' O ' HD12 ' B' ' 56' ' ' LEU . 3.0 mp0 -104.19 161.96 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 14.4 m -66.1 -19.0 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -77.4 -14.35 59.73 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.35 146.11 50.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.131 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.785 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.3 p -88.48 158.76 18.24 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 30.6 mm -57.88 -30.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 173.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 24.1 t70 -62.55 -46.96 85.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.837 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.408 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 54.3 t30 -72.97 -33.81 66.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 22' ' ' THR . 47.1 t -62.33 -41.76 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 87.5 mttt -57.17 -40.87 78.18 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.391 174.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.7 t -63.44 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.7 mttt -73.46 -27.93 61.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 26' ' ' VAL . 62.8 mt -78.1 -32.52 17.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.29 0.566 . . . . 0.0 109.687 173.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.7 -29.78 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.675 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.93 -16.77 62.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.737 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.699 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -87.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -105.31 -15.08 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.98 66.75 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.538 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.35 124.63 91.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.625 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 22.5 Cg_endo -61.38 143.75 97.93 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.357 2.038 . . . . 0.0 111.841 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.2 Cg_exo -61.18 -27.0 83.21 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.015 2.477 . . . . 0.0 113.213 -177.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.482 ' CG ' HH21 ' B' ' 74' ' ' ARG . 13.3 t70 -65.75 -45.86 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.688 0.28 . . . . 0.0 111.213 -175.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.625 ' HG2' ' HG2' ' B' ' 37' ' ' PRO . 7.6 pt20 -80.53 1.86 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -176.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -99.41 123.56 43.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.727 0.298 . . . . 0.0 111.1 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -128.65 121.17 27.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -96.58 136.77 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.701 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.405 ' N ' HD12 ' B' ' 44' ' ' ILE . 4.2 mp -122.76 121.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 22.4 t80 -111.07 98.73 7.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.44 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.4 22.32 10.76 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.159 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 -10.6 27.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.597 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -84.02 139.2 32.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.514 0.197 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -79.19 117.5 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.636 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.662 HD21 HD11 ' B' ' 61' ' ' ILE . 10.0 mp -119.4 99.69 6.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.036 0.446 . . . . 0.0 110.996 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -119.7 166.78 12.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 7.1 p-10 -68.41 147.37 52.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.11 0.481 . . . . 0.0 111.135 -173.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.21 -42.14 1.92 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 54' ' ' ARG . 16.3 mmt180 -84.91 160.69 20.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.332 . . . . 0.0 110.108 177.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.785 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.1 p -101.05 172.03 7.26 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.637 HD22 HD12 ' B' ' 61' ' ' ILE . 81.2 mt -74.5 -19.18 60.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.216 0.531 . . . . 0.0 109.736 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -80.82 -27.35 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -54.96 -60.94 2.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -83.91 -12.63 55.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.146 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 63.27 90.92 0.08 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.662 HD11 HD21 ' B' ' 50' ' ' LEU . 58.3 mt -101.33 144.31 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.84 -170.38 2.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.749 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 10.4 mtmp? -92.69 143.67 26.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.576 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.99 26.01 12.69 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.813 0.696 . . . . 0.0 111.152 173.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 18.7 m -80.19 155.61 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.3 m -100.34 126.42 46.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 111.316 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.569 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.7 mp -117.37 143.58 45.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -103.95 127.84 51.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.605 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.586 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 63.1 tp -94.18 108.37 20.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.629 HG21 ' HB3' ' A' ' 57' ' ' PRO . 65.7 t -105.52 122.08 58.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 3.3 mm? -82.94 156.64 23.38 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.198 0.523 . . . . 0.0 111.291 -174.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 67.7 mtp180 -109.96 149.15 30.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.85 176.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt -93.54 18.3 10.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.482 HH21 ' CG ' ' B' ' 39' ' ' ASP . 13.2 ttp180 -89.06 90.6 8.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.06 0.457 . . . . 0.0 110.053 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.49 65.97 1.48 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.679 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.347 0 CA-C-O 118.534 -1.148 . . . . 0.0 111.759 -178.837 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptp . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.31 94.76 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.786 0.679 . . . . 0.0 111.61 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -96.04 4.02 52.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.175 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.492 ' HE3' ' HB2' ' A' ' 4' ' ' LYS . 38.8 mtmt -88.33 61.15 6.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.079 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 m -64.81 -47.78 76.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.117 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -139.83 150.62 44.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -175.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -54.77 132.31 45.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -93.45 168.55 10.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.294 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.16 151.94 24.15 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.963 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' HB ' ' HD3' ' A' ' 68' ' ' LYS . 62.3 mt -119.39 120.93 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -78.19 136.07 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 111.887 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -74.49 -66.32 0.75 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.487 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.508 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.5 m-85 -96.84 -170.02 1.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.872 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -94.69 161.82 14.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.508 ' HB3' HG12 ' A' ' 25' ' ' ILE . 43.8 t80 -147.51 107.2 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.522 ' HA ' HG23 ' A' ' 24' ' ' THR . 66.2 mtt -93.73 105.2 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.859 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.639 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -76.63 156.17 32.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.88 -174.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.8 -33.36 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -94.5 153.92 17.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.896 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -71.41 -16.49 62.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.428 -175.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -84.64 -14.56 48.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.639 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 48.0 mt-10 -90.86 161.66 15.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.763 0.316 . . . . 0.0 110.309 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.502 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.4 tp -117.88 116.91 27.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.865 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.522 HG23 ' HA ' ' A' ' 16' ' ' MET . 22.3 m -75.19 117.74 17.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.698 HG22 HD21 ' A' ' 47' ' ' LEU . 31.5 pt -133.47 161.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.425 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -113.95 158.97 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.132 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -66.95 117.85 9.6 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.866 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.88 -0.17 30.28 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 140.98 38.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.815 0.34 . . . . 0.0 110.36 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -85.54 132.95 34.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.982 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 45' ' ' CYS . 10.4 m -133.21 149.95 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD2' HG22 ' A' ' 48' ' ' VAL . 37.7 m-85 -97.15 135.93 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 168.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.497 ' CG2' ' HB3' ' A' ' 36' ' ' ASP . 30.1 mt -94.9 107.99 20.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -76.38 -78.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.658 ' H ' ' HB2' ' A' ' 44' ' ' MET . 17.4 t70 -93.9 106.74 18.69 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 7.2 p-10 -123.87 4.89 8.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.549 175.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.51 -62.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.997 -172.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -78.33 -49.11 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -80.36 131.41 35.62 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -115.44 -25.45 7.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.237 0.541 . . . . 0.0 110.169 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.708 ' HA ' HD21 ' B' ' 8' ' ' LEU . 3.2 m-20 -79.11 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.079 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -125.35 151.62 45.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.382 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.2 m0 -123.18 149.33 44.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.774 0.321 . . . . 0.0 110.293 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.658 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 73.1 mtp -87.89 129.29 35.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 87.2 m -138.47 159.3 42.43 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.72 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -132.84 125.2 29.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.834 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.698 HD21 HG22 ' A' ' 25' ' ' ILE . 97.5 mt -61.18 126.61 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.528 0.518 . . . . 0.0 110.509 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.483 HG22 ' CD2' ' A' ' 32' ' ' TYR . 90.1 t -67.43 -34.49 68.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 110.79 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.675 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 p -86.46 -31.14 21.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -172.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 15.52 52.94 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.433 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HB2' HD12 ' A' ' 47' ' ' LEU . 29.6 mtpp -83.5 133.01 34.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 t -117.26 157.98 25.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.758 0.313 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.502 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 171.88 -173.31 45.06 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.183 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.88 137.14 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.77 148.91 67.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.363 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.514 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 23.6 Cg_exo -64.46 131.39 29.71 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.458 2.105 . . . . 0.0 111.851 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.84 -14.98 63.3 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.497 ' CD ' ' HA ' ' B' ' 8' ' ' LEU . 38.2 mt-30 -78.73 -9.23 59.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 111.045 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.514 ' CD1' ' HB2' ' A' ' 57' ' ' PRO . 29.9 m-85 -105.3 -13.76 15.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.607 -174.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mm -106.11 129.37 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 6.3 mm-40 -109.21 104.94 56.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.062 172.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' GLU . 12.1 Cg_endo -57.52 135.84 72.24 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.618 2.212 . . . . 0.0 111.628 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 10' ' ' ILE . 4.8 t -82.47 49.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.588 0.709 . . . . 0.0 111.671 -171.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -103.27 -37.55 7.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 163.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -83.03 -176.42 6.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.807 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -111.85 30.34 7.09 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.874 -177.805 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HD3' ' HB ' ' A' ' 10' ' ' ILE . 11.4 mtmt 63.21 94.33 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.532 -175.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -163.45 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.133 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m 48.86 76.2 0.13 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.75 0.786 . . . . 0.0 111.629 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--O 1.243 0.751 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.05 -177.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.747 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 121.63 0.728 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -103.91 130.07 51.48 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.243 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.553 HD12 HD12 ' B' ' 67' ' ' LEU . 31.2 pt -117.34 148.58 20.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.918 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.01 100.36 11.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.916 0.388 . . . . 0.0 110.445 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.7 t -83.38 97.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.436 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -92.51 101.98 14.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.589 HG22 HD23 ' B' ' 69' ' ' LEU . 61.5 p -70.98 165.17 23.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.129 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 41' ' ' ASP . 5.7 tt -62.82 -31.73 72.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.868 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.1 p -70.3 -27.59 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.761 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.65 -2.57 11.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.672 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -76.68 122.55 24.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -103.66 93.3 4.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -93.92 125.24 46.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.593 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -89.43 112.04 23.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.901 0.381 . . . . 0.0 109.976 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.3 128.64 54.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.421 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.17 106.42 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.622 173.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.17 -175.15 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.464 -175.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.406 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 34.5 tt0 -123.06 156.22 35.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -65.88 -35.12 79.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.486 . . . . 0.0 110.624 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -89.15 8.09 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.737 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 9.1 t70 -80.24 136.96 36.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 62.8 p -81.3 151.3 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 0.0 111.741 -173.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' B' ' 50' ' ' LEU . 42.6 mm -55.5 -34.45 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.41 -39.69 85.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.479 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 31.6 t-20 -70.49 -34.89 72.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.856 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 22' ' ' THR . 24.6 t -67.67 -38.67 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -57.66 -45.67 85.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.095 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.2 p -68.56 -33.99 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 63.2 mttp -59.49 -45.27 92.17 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.62 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.0 mt -67.95 -39.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.618 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.81 -30.81 70.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.3 -24.12 64.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.51 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -87.12 -69.79 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -104.06 6.14 35.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.65 26.74 73.57 Favored Glycine 0 CA--C 1.516 0.112 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.96 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -76.7 118.25 70.38 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.854 -0.203 . . . . 0.0 110.828 -177.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -54.6 134.0 59.79 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.016 2.478 . . . . 0.0 112.446 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -58.94 -36.17 97.32 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.414 2.742 . . . . 0.0 113.264 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.85 -33.39 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.217 0.532 . . . . 0.0 110.978 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 55.7 tt0 -74.46 -26.85 60.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -77.94 120.06 22.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.96 -175.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -125.36 114.31 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.12 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.44 ' HB3' HD22 ' B' ' 50' ' ' LEU . 98.8 mt -88.43 127.82 35.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.57 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.54 HD12 HG21 ' B' ' 70' ' ' VAL . 73.2 mt -117.5 119.02 60.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.41 177.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.435 ' HD2' ' HD2' ' B' ' 48' ' ' LYS . 61.3 t80 -107.65 97.48 7.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.157 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.37 19.49 7.75 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.976 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.59 -18.69 11.74 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.166 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.435 ' HD2' ' HD2' ' B' ' 45' ' ' PHE . 62.1 mttm -75.7 133.79 40.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.654 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -88.32 116.42 26.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.217 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' B' ' 23' ' ' ILE . 10.9 mp -87.65 110.79 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.355 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -85.85 141.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.368 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.552 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -80.2 117.21 20.79 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.526 0.679 . . . . 0.0 110.162 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -34.67 1.9 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -87.42 177.15 7.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.1 p -104.56 178.68 4.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.768 0.318 . . . . 0.0 110.778 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.712 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 85.7 mt -71.12 -28.55 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.387 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -66.53 -27.22 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.69 -23.31 67.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.451 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -121.71 19.01 11.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.684 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 62.08 30.71 17.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.756 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.712 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 70.9 mt -78.28 102.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.298 0.571 . . . . 0.0 110.578 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.44 -172.06 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.407 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 12.3 ptmm? -71.62 144.92 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 67.21 17.57 10.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.715 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -78.17 139.76 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 m -93.89 102.62 14.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.08 0.467 . . . . 0.0 111.334 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.553 HD12 HD12 ' B' ' 3' ' ' ILE . 85.4 mt -92.05 117.94 30.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.469 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -81.82 115.51 21.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.589 HD23 HG22 ' B' ' 7' ' ' THR . 58.6 tp -88.76 94.94 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.631 HG13 HD12 ' B' ' 8' ' ' LEU . 31.4 t -95.51 120.61 45.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.349 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.62 132.84 34.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 24.0 mmm180 -75.79 150.16 37.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.02 19.42 0.54 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 67.63 -66.54 0.21 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.613 0.765 . . . . 0.0 111.333 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.85 154.05 20.01 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.58 -1.122 . . . . 0.0 111.479 -179.345 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.485 0.184 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.7 139.67 9.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -87.58 92.44 9.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.637 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -83.8 -31.69 25.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.745 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 m -70.63 121.05 17.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.813 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 2.9 mptp? -81.35 148.72 29.22 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 39.1 mttp -78.19 165.74 23.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 64' ' ' VAL . 22.1 mtm180 -126.93 159.59 33.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.731 -0.388 . . . . 0.0 109.96 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.79 165.85 35.9 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.37 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mt -120.83 124.27 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 3.2 p -72.23 126.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.388 0.613 . . . . 0.0 111.585 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -80.85 -60.35 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.476 -175.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 92.0 m-85 -84.23 -179.91 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -112.65 108.69 17.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.658 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 83.7 t80 -109.28 119.31 39.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 112.037 -171.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.449 ' HA ' HG23 ' A' ' 24' ' ' THR . 86.7 mmm -93.01 129.67 38.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.72 173.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -103.61 154.24 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.779 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.46 -42.12 2.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 110.279 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -87.77 159.36 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.213 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.486 ' H ' ' CD ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER -73.92 -19.62 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -178.667 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.1 -38.36 88.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.23 0.538 . . . . 0.0 109.957 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt-10 -83.22 161.35 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.816 -173.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' HG ' ' A' ' 47' ' ' LEU . 62.7 tp -123.73 122.33 37.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.845 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.449 HG23 ' HA ' ' A' ' 16' ' ' MET . 25.3 m -71.94 110.5 6.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.247 177.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.551 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.3 pt -120.09 123.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.507 . . . . 0.0 111.268 -174.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -84.33 144.6 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.376 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 t -55.76 128.48 35.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.491 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 12.08 68.25 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.62 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 26' ' ' LYS . 3.9 t70 -84.92 -178.51 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.525 0.663 . . . . 0.0 110.721 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -113.68 118.39 34.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.735 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 61' ' ' ILE . 24.5 m -127.15 141.29 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.401 0.62 . . . . 0.0 112.434 -176.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -82.72 143.96 30.55 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.261 170.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.67 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 59.4 mt -105.13 109.02 26.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.185 0.517 . . . . 0.0 109.857 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -82.59 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.741 -177.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.545 ' H ' ' HB2' ' A' ' 44' ' ' MET . 9.6 t0 -134.79 110.03 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.561 177.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -97.3 22.46 8.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 0.0 111.843 -175.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.2 21.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.821 0.819 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.884 ' HZ2' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -65.63 -49.5 68.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.344 -173.385 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -127.73 17.1 6.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.111 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp 67.23 -64.96 0.24 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.776 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.31 -29.93 48.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.334 0.588 . . . . 0.0 110.409 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -121.75 135.72 54.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.382 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.472 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 46.0 m0 -115.05 167.17 11.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.883 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.545 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 63.2 mmm -98.3 118.92 36.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.0 m -135.55 157.43 46.9 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.893 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 7.5 tt0 -132.47 128.78 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.949 -176.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 31' ' ' VAL . 96.3 mt -65.46 118.65 9.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.04 -39.51 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 123.387 0.429 . . . . 0.0 111.892 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -69.81 -54.99 11.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 t -90.21 -27.81 19.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.767 -171.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.83 0.58 64.0 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.221 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.05 120.72 14.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 4.5 p -119.93 148.93 42.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.861 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.38 -170.78 40.94 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.343 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.1 mm? -85.9 131.95 34.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.487 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 36.0 m -131.03 153.29 81.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.121 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.538 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 17.2 Cg_exo -67.16 140.27 53.24 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.487 2.125 . . . . 0.0 111.991 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -45.68 81.09 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.531 ' OE1' ' HG ' ' B' ' 8' ' ' LEU . 1.6 mp0 -74.15 14.02 0.48 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.658 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 5.6 m-85 -105.72 -25.77 12.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.655 HD12 HG21 ' A' ' 31' ' ' VAL . 36.8 mm -103.0 107.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.96 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.37 134.85 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.412 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 1.009 ' HG3' ' HD2' ' A' ' 68' ' ' LYS . 3.8 Cg_exo -77.36 127.74 9.23 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.58 2.187 . . . . 0.0 110.9 171.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 8' ' ' ARG . 6.8 m -85.27 -16.82 10.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 39.6 ttp180 -141.4 -89.93 0.15 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.861 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 8.2 p-10 -146.38 -158.84 0.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.67 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.908 ' HE3' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 77.97 -51.49 0.51 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.994 0.917 . . . . 0.0 111.667 176.531 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 1.009 ' HD2' ' HG3' ' A' ' 63' ' ' PRO . 39.7 ttmt -69.22 -43.53 73.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.088 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 93.6 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.202 0.525 . . . . 0.0 111.333 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.4 m -130.2 92.87 3.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.34 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.752 -176.531 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.474 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.8 ptt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.059 0.457 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -82.69 127.97 33.91 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.543 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -118.94 135.54 59.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.09 110.43 21.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.39 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' B' ' 13' ' ' ILE . 44.5 t -82.42 98.34 4.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.282 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 74.2 tttt -100.68 101.3 12.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.21 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.555 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 71.1 p -78.27 173.61 12.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.959 -170.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.531 ' HG ' ' OE1' ' A' ' 59' ' ' GLN . 2.0 tt -76.31 -14.76 60.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.943 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -89.86 -5.15 57.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.745 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.85 10.95 51.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.217 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 42.7 mmtm -84.01 142.71 30.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -133.79 93.37 3.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.861 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.462 HG13 ' HB ' ' B' ' 5' ' ' VAL . 9.7 pt -108.81 150.91 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.173 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.9 m -95.67 126.09 40.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' B' ' 29' ' ' LYS . 17.7 tp -118.54 126.06 51.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.812 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -86.14 106.74 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.417 HG12 ' CD ' ' B' ' 29' ' ' LYS . 33.5 m -125.6 144.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.497 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.485 ' O ' HD12 ' B' ' 56' ' ' LEU . 31.0 tt0 -87.24 153.18 21.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.89 -17.56 64.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.007 0.432 . . . . 0.0 110.72 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.54 -4.57 50.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.9 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.39 142.98 57.41 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.002 0.429 . . . . 0.0 110.797 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 59.8 p -88.38 158.27 18.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.992 175.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.714 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.7 mm -62.02 -32.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.0 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.505 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 4.6 p-10 -69.95 -30.77 68.23 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.645 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 41.1 t-20 -71.53 -43.21 66.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.55 HG21 HD21 ' B' ' 56' ' ' LEU . 47.5 t -60.77 -41.68 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.401 177.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 91.9 mttt -56.39 -44.71 80.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.139 0.495 . . . . 0.0 110.376 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.2 m -68.96 -29.08 67.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 53.8 mttm -65.6 -38.63 90.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.913 0.387 . . . . 0.0 110.097 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.46 -31.68 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.965 177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 55.6 tt0 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.41 0.624 . . . . 0.0 109.562 173.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.26 -34.52 74.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.035 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.72 -70.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.957 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -97.81 -10.65 24.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -171.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.83 39.39 24.7 Favored Glycine 0 C--O 1.23 -0.144 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.657 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 32.0 mt -101.92 129.5 26.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 43.4 Cg_exo -57.34 131.05 42.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.98 2.453 . . . . 0.0 112.599 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.487 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 48.6 Cg_exo -56.75 -44.14 47.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.064 2.509 . . . . 0.0 112.949 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 12.7 m-20 -72.98 -9.06 58.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.909 -176.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 33.7 tt0 -97.48 -9.35 27.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 110.279 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -100.95 127.56 47.38 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.941 -0.474 . . . . 0.0 111.863 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -117.66 112.72 20.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 96.5 mt -88.9 125.56 35.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.558 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 3.2 mp -112.07 124.33 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.445 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -122.68 112.98 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.011 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.62 16.65 6.75 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.072 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 -12.18 46.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.304 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -94.57 138.36 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -86.17 136.54 33.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.237 -177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.651 HD23 HD12 ' B' ' 23' ' ' ILE . 9.3 mp -95.17 102.63 14.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.25 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -80.5 136.49 36.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.714 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.8 p-10 -72.18 135.77 46.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.374 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.79 -44.25 1.2 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -90.32 175.43 7.11 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 72.7 p -96.11 171.51 8.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 111.184 -176.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.55 HD21 HG21 ' B' ' 26' ' ' VAL . 95.7 mt -64.8 -28.84 69.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.187 174.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -66.18 -39.64 89.88 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.573 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -59.58 -39.19 83.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -88.73 4.04 48.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.05 43.09 11.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.828 0.705 . . . . 0.0 111.229 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.557 HD11 HD21 ' B' ' 50' ' ' LEU . 67.9 mt -81.62 132.62 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.593 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -98.91 174.15 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.474 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 63.6 mmtt -69.98 147.29 50.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.547 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 64.17 27.42 14.0 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 110.633 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.5 p -78.47 163.48 25.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.471 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.0 m -123.85 118.14 26.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.748 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.42 143.78 35.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.1 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 91.7 m-70 -100.65 130.32 46.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.831 0.348 . . . . 0.0 110.249 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.555 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 61.1 tp -98.31 108.19 20.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.432 HG22 HD12 ' B' ' 8' ' ' LEU . 67.4 t -108.64 129.48 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.93 149.62 25.51 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.7 0.762 . . . . 0.0 112.319 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.68 ' HG2' ' H ' ' B' ' 74' ' ' ARG . 57.8 ttt180 -84.09 144.87 28.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.45 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.72 5.72 4.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.881 0.372 . . . . 0.0 111.731 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.68 ' H ' ' HG2' ' B' ' 72' ' ' ARG . 48.6 mtp180 -144.48 157.02 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.868 174.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.58 -5.92 4.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.746 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.054 -1.415 . . . . 0.0 111.026 -178.379 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.511 0.196 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 5' ' ' SER . . . 65.06 22.68 12.4 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.016 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -111.77 105.76 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 71.02 9.76 6.8 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.222 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 2' ' ' ALA . 80.7 p -95.91 159.67 14.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.81 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -120.8 166.15 14.15 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.775 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 2.6 mmtp -81.6 159.89 23.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -129.05 123.86 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.265 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.56 167.11 29.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.008 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -118.7 129.82 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.445 HG23 ' HB3' ' A' ' 60' ' ' PHE . 4.9 p -75.49 121.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.321 0.581 . . . . 0.0 110.05 175.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.27 -31.59 49.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' O ' HG22 ' A' ' 11' ' ' VAL . 4.4 m-85 -111.8 -177.46 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.797 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.532 ' O ' ' HA2' ' B' ' 47' ' ' GLY . 8.1 m-20 -96.47 160.9 14.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 171.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' HB3' HG12 ' A' ' 25' ' ' ILE . 65.7 t80 -149.24 102.56 3.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.153 0.501 . . . . 0.0 110.668 174.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mtt -83.4 110.98 18.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.765 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.642 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -89.17 150.69 22.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.953 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -130.69 -21.19 2.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.169 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.733 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 22.9 m -89.81 152.29 21.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -73.14 -23.02 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -80.68 -14.4 58.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.801 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.733 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 59.2 mt-10 -86.61 177.2 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.654 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 46.7 tp -136.17 114.59 11.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -70.8 103.3 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.686 HG22 HD21 ' A' ' 47' ' ' LEU . 22.3 pt -117.88 156.58 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -119.48 154.7 33.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.31 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 p -59.71 116.64 4.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.043 0.449 . . . . 0.0 110.871 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.06 -0.35 29.98 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.94 133.1 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -86.4 125.82 33.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.593 HG12 HD23 ' A' ' 47' ' ' LEU . 18.5 m -133.32 151.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.37 0.605 . . . . 0.0 112.184 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CE2' HG22 ' A' ' 48' ' ' VAL . 48.5 m-85 -101.13 135.72 42.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.089 171.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.775 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 mt -94.63 115.28 33.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.591 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 58.3 mt -74.83 -48.18 26.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.558 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -142.44 122.58 13.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.986 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.557 ' HB3' HG21 ' A' ' 33' ' ' ILE . 6.6 p-10 -126.55 12.53 7.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.818 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -109.66 -55.08 2.48 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.775 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -74.17 -48.47 29.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -95.13 102.48 14.29 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.879 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -98.71 -25.46 14.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.66 ' HB2' HD11 ' B' ' 73' ' ' LEU . 4.9 m-20 -84.9 -41.27 16.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.965 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -124.65 122.35 37.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.206 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -95.49 142.48 27.79 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.879 0.371 . . . . 0.0 110.624 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.482 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -86.07 102.78 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.5 m -109.37 144.36 37.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 63.9 tt0 -120.39 126.55 50.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.803 178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.686 HD21 HG22 ' A' ' 25' ' ' ILE . 95.0 mt -68.34 136.33 53.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.118 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.527 HG22 ' CE2' ' A' ' 32' ' ' TYR . 72.9 t -76.14 -23.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.456 0.646 . . . . 0.0 109.455 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.85 -71.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.632 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 p -97.83 -26.35 14.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.876 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.33 6.04 58.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.165 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -78.63 143.76 36.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.697 0.284 . . . . 0.0 110.337 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 21.6 p -120.01 156.02 31.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.912 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.654 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -172.35 176.86 45.23 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.721 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.55 131.84 36.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.681 0.277 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.541 HG11 HD13 ' A' ' 25' ' ' ILE . 33.9 m -136.91 156.24 75.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.333 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HB3' HG21 ' B' ' 70' ' ' VAL . 11.5 Cg_endo -56.42 133.21 56.6 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.957 2.438 . . . . 0.0 112.797 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.96 61.56 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -173.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 7.1 pt20 -72.74 12.01 0.57 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -171.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.445 ' HB3' HG23 ' A' ' 11' ' ' VAL . 3.0 m-85 -96.15 -14.8 22.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.572 0.225 . . . . 0.0 110.698 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.99 126.01 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.122 0.487 . . . . 0.0 111.843 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -112.57 108.98 53.76 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.521 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.1 136.66 70.48 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.922 2.415 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.4 m -87.77 -29.09 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.123 0.487 . . . . 0.0 111.286 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.794 HH21 ' HB2' ' A' ' 67' ' ' LYS . 7.1 tpm_? -169.48 76.46 0.1 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.282 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.33 -58.84 2.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.259 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.794 ' HB2' HH21 ' A' ' 65' ' ' ARG . 52.5 tttm 52.15 76.83 0.17 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.93 -172.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -73.9 149.38 41.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.197 -174.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -90.76 -58.7 2.39 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 p -148.42 159.52 43.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.42 173.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.371 179.535 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.603 ' SD ' ' HD2' ' B' ' 63' ' ' LYS . 16.3 ptt? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.763 0.792 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 79.7 mt-30 -105.13 130.26 53.35 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.008 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 pt -127.13 151.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.547 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -101.56 105.52 16.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.314 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -87.88 98.14 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.16 0.505 . . . . 0.0 110.148 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 24.6 ttmm -87.98 112.57 22.72 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.86 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.582 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 49.7 p -71.21 172.83 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.021 0.438 . . . . 0.0 111.549 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.504 HD12 HG13 ' B' ' 70' ' ' VAL . 9.3 tt -63.2 -36.14 82.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.943 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -78.23 -30.47 48.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.505 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.41 -37.25 1.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.692 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -48.1 115.24 1.12 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.022 0.439 . . . . 0.0 111.423 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 14.4 m -103.6 113.16 26.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.406 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.05 130.87 49.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.695 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -85.85 113.77 22.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.64 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' B' ' 2' ' ' GLN . 3.2 mm? -105.93 136.25 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 111.613 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.92 101.4 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.306 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.42 HG11 HG22 ' B' ' 26' ' ' VAL . 27.2 m -139.03 143.94 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.984 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -82.18 167.6 18.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 111.228 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -64.63 -30.23 71.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.278 0.561 . . . . 0.0 110.605 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -90.34 9.88 27.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.199 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.01 141.22 36.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.469 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.6 p -86.98 151.8 22.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.974 -176.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.1 mm -56.48 -35.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.749 ' HA ' ' HG2' ' B' ' 27' ' ' LYS . 20.5 t70 -69.73 -35.98 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.543 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 3.8 t-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.709 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.491 HG21 HD11 ' B' ' 56' ' ' LEU . 58.6 t -63.11 -51.97 64.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.159 173.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.749 ' HG2' ' HA ' ' B' ' 24' ' ' ASP . 19.7 ptpt -63.33 -29.13 70.49 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.536 ' HA ' ' CD ' ' B' ' 31' ' ' GLN . 28.9 t -66.9 -38.37 86.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.462 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.6 mttp -64.02 -32.89 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 27' ' ' LYS . 59.0 mt -69.02 -39.47 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.403 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.674 ' NE2' ' HG3' ' B' ' 38' ' ' PRO . 8.8 mt-30 -65.65 -27.73 68.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.181 0.515 . . . . 0.0 110.09 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.57 -33.57 76.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.011 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.64 -64.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.294 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -172.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 49.51 4.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.708 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 58.4 mt -106.8 131.49 21.66 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 24.8 Cg_exo -37.37 121.44 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.751 2.967 . . . . 0.0 113.202 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.674 ' HG3' ' NE2' ' B' ' 31' ' ' GLN . 52.9 Cg_exo -56.01 -46.4 31.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.999 2.466 . . . . 0.0 113.298 -176.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.7 -25.51 67.46 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -82.68 -28.99 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.973 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.708 ' NE2' ' HB ' ' B' ' 36' ' ' ILE . 98.4 mt-30 -79.59 109.62 14.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 111.399 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.735 ' HG3' ' HD3' ' B' ' 72' ' ' ARG . 3.4 mmp_? -112.98 122.11 46.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' B' ' 50' ' ' LEU . 96.6 mt -91.88 127.93 37.53 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.29 125.46 61.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.469 ' HB3' HD21 ' B' ' 50' ' ' LEU . 73.0 t80 -121.35 109.68 15.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.327 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.42 19.79 9.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.038 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 14' ' ' ASP . . . 110.58 -17.34 28.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.636 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -87.54 123.06 32.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.62 115.69 20.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.326 0.584 . . . . 0.0 109.561 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.551 HD22 ' CG ' ' B' ' 59' ' ' TYR . 13.8 mt -81.72 129.0 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.556 -174.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HA ' ' NH2' ' B' ' 42' ' ' ARG . 30.6 mt-10 -100.16 -179.75 4.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.203 0.525 . . . . 0.0 110.978 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.59 151.39 24.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.895 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.04 -45.07 1.37 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.619 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -82.89 169.06 16.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 0.0 111.22 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.2 p -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.491 HD11 HG21 ' B' ' 26' ' ' VAL . 10.5 mp -65.73 -32.5 74.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.543 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.7 m -65.95 -38.35 88.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.576 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.28 -35.98 82.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.781 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.551 ' CG ' HD22 ' B' ' 50' ' ' LEU . 63.3 m-85 -94.8 -0.84 53.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 61.44 41.01 13.29 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.9 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.443 HD12 ' HG ' ' B' ' 56' ' ' LEU . 79.7 mt -71.56 117.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.901 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.76 172.07 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.046 -172.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.603 ' HD2' ' SD ' ' B' ' 1' ' ' MET . 12.7 mmmm -59.86 134.51 57.1 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.679 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 60.95 26.53 16.45 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.654 0.597 . . . . 0.0 111.409 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -71.73 158.21 36.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.146 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.5 m -112.76 104.69 12.72 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.168 0.509 . . . . 0.0 110.414 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.18 145.08 27.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.395 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -107.01 114.81 29.11 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.582 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 65.8 tp -92.31 113.88 26.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.12 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.504 HG13 HD12 ' B' ' 8' ' ' LEU . 47.9 t -116.21 129.87 71.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.68 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.05 145.19 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.735 ' HD3' ' HG3' ' B' ' 42' ' ' ARG . 26.4 mmm180 -80.06 -9.1 59.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.312 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.66 HD11 ' HB2' ' A' ' 41' ' ' ASP . 84.1 mt 66.6 3.66 3.01 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.161 0.584 . . . . 0.0 112.504 178.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 54.24 63.92 2.0 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.055 0.455 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.9 153.92 12.8 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.914 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.142 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.111 177.772 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.436 0.16 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.75 177.4 0.17 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.432 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p 47.79 35.22 4.47 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.016 0.526 . . . . 0.0 112.094 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -73.37 -63.85 1.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.331 0.586 . . . . 0.0 110.03 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -144.03 162.59 35.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.419 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.95 116.6 29.18 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 172.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.709 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 97.5 mttt -74.4 157.77 35.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -125.58 144.99 50.32 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.25 175.55 33.91 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.346 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -126.55 130.23 71.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' A' ' 25' ' ' ILE . 2.4 p -79.85 124.87 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.01 0.434 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -98.98 -25.95 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.166 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' HB2' ' CG ' ' A' ' 60' ' ' PHE . 97.6 m-85 -115.77 144.87 43.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 0.0 110.51 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -79.0 142.66 36.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.53 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 88.4 t80 -148.11 135.0 20.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.747 0.308 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.627 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.8 ptp -107.81 127.97 54.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.918 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -89.99 144.0 26.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.279 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -102.03 -20.32 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -115.63 165.69 12.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.65 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -75.18 -24.67 57.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -81.94 -12.05 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 110.537 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 53.8 mt-10 -96.67 151.99 19.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.405 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.648 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 55.8 tp -117.52 128.02 54.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 111.473 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 16' ' ' MET . 86.4 m -77.57 115.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.944 173.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.53 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 10.8 pt -110.2 157.3 10.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.309 0.576 . . . . 0.0 111.62 -175.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -130.87 131.07 44.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.385 -175.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -57.16 124.85 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.853 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.78 -9.07 43.72 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.97 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.42 155.08 24.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -92.49 130.18 38.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.347 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 HD23 ' A' ' 47' ' ' LEU . 35.3 m -127.48 150.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.308 0.575 . . . . 0.0 112.003 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -95.63 140.29 30.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.234 168.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 46.4 mt -105.46 113.33 42.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.4 mm? -94.07 -77.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.572 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 4.5 m-20 -102.04 95.0 6.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.279 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 9.2 p-10 -105.81 -36.32 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.809 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.14 2.81 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.104 0.478 . . . . 0.0 110.825 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 28.5 mmtp -78.03 -48.64 15.68 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.6 m -125.44 171.3 10.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -111.69 15.35 21.04 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.826 ' HA ' HD22 ' B' ' 8' ' ' LEU . 1.1 p-10 -140.7 -71.46 0.37 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.549 -165.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -108.66 124.63 50.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -105.07 150.4 25.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.201 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.572 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 34.0 mtp -87.34 119.7 27.88 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.9 p -132.43 162.35 31.37 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.777 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -133.03 127.04 33.23 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.853 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.646 HD23 HG12 ' A' ' 31' ' ' VAL . 73.5 mt -63.05 118.36 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.88 -43.03 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.72 -11.81 58.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -171.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 p -119.82 -38.22 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.875 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 6.35 56.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.083 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HE3' HD12 ' A' ' 47' ' ' LEU . 58.7 mtmt -84.55 124.73 31.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.799 0.333 . . . . 0.0 110.644 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 5.6 p -114.89 157.57 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.566 -175.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.648 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 174.06 -178.85 45.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.079 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.6 mt -89.07 134.87 33.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.696 0.284 . . . . 0.0 110.999 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.61 158.21 73.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HB3' HG21 ' B' ' 70' ' ' VAL . 25.6 Cg_exo -63.76 127.21 19.08 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.746 2.297 . . . . 0.0 112.15 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.78 -33.25 64.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.427 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.47 0.38 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.085 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.673 ' HZ ' HG21 ' B' ' 44' ' ' ILE . 7.3 m-30 -107.61 -7.72 16.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.631 0.253 . . . . 0.0 111.421 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 31' ' ' VAL . 50.9 mm -110.23 126.85 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 0.0 111.574 -174.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' OE1' ' HE3' ' A' ' 68' ' ' LYS . 18.3 mm-40 -104.66 105.89 52.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.762 172.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' O ' ' HD3' ' A' ' 68' ' ' LYS . 54.5 Cg_endo -71.67 130.13 16.59 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 111.921 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m -82.16 120.75 34.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.655 0.74 . . . . 0.0 110.916 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -99.88 -86.47 0.38 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.61 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -132.54 75.06 1.61 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 169.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 66.59 100.86 0.05 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.235 -170.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.492 ' HE3' ' OE1' ' A' ' 62' ' ' GLU . 63.7 tttp -123.84 122.47 38.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.455 176.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -126.99 86.34 2.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.296 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.3 p 46.6 -98.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.475 1.11 . . . . 0.0 113.908 173.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.647 -173.067 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.407 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 21.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.289 0.566 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.54 147.33 47.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.42 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.5 pt -132.36 136.77 55.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.468 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 53.9 m-85 -90.45 95.68 10.29 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.5 t -80.31 100.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.765 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.5 ttmt -97.3 106.03 18.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.802 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.699 HG22 HD23 ' B' ' 69' ' ' LEU . 43.7 p -79.26 160.66 26.75 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.234 -176.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 41' ' ' ASP . 1.1 pp -67.72 -10.42 52.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.833 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.19 -13.42 59.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.335 177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.0 14.85 38.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.065 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.99 115.61 30.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.686 0.279 . . . . 0.0 110.838 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 15.0 m -102.27 93.47 5.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -100.73 124.23 54.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.58 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -80.1 112.21 17.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.032 0.444 . . . . 0.0 110.141 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -98.2 133.61 42.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.33 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.4 107.46 15.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.75 176.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.85 -175.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.469 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 9.2 tp10 -123.49 156.38 35.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -61.44 -42.79 99.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.304 0.573 . . . . 0.0 109.711 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -88.16 20.8 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.786 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 17.9 t0 -91.05 134.83 34.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.469 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.5 p -74.2 148.66 41.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.651 HG22 ' HE3' ' B' ' 27' ' ' LYS . 31.0 mm -55.18 -42.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.276 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -42.9 84.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.514 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -68.08 -38.58 82.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 22' ' ' THR . 49.1 t -60.53 -44.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.07 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.662 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 95.1 mttt -59.37 -36.78 76.38 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -29.91 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.878 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.43 -24.73 60.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.98 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 26' ' ' VAL . 24.1 mm -71.93 -44.02 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.56 -33.96 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.248 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.89 -32.73 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.631 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -110.48 -63.53 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.854 -173.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -75.36 -22.78 57.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.261 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 45.1 26.95 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.128 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.794 HD13 HD21 ' B' ' 71' ' ' LEU . 66.4 mt -111.38 134.36 21.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 55.6 Cg_exo -52.93 121.28 9.03 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.664 2.243 . . . . 0.0 111.632 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.662 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 49.9 Cg_exo -56.4 -43.55 54.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.126 2.551 . . . . 0.0 113.248 -175.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.58 -2.15 31.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 0.0 111.475 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -95.26 -9.73 32.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.346 0.594 . . . . 0.0 109.748 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.551 ' HB3' HD11 ' B' ' 69' ' ' LEU . 47.2 mt-30 -99.19 144.04 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.236 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.418 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 98.8 mtt180 -131.89 124.56 29.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.251 173.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.34 126.58 41.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.025 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.673 HG21 ' HZ ' ' A' ' 60' ' ' PHE . 54.5 mt -117.27 126.2 74.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.954 0.407 . . . . 0.0 110.632 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -129.53 109.65 11.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.293 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.72 22.74 13.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.723 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.5 -15.74 49.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.033 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -82.54 111.86 18.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.679 0.276 . . . . 0.0 110.369 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.418 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 22.8 tt0 -80.92 113.38 19.09 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.582 HD13 HD12 ' B' ' 23' ' ' ILE . 49.1 mt -69.3 123.6 21.62 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.95 -85.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.501 -173.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -179.07 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.57 0.224 . . . . 0.0 110.71 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.41 39.39 3.1 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.342 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.471 ' O ' HG12 ' B' ' 23' ' ' ILE . 3.5 mmp_? -133.45 168.82 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -103.71 172.19 6.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.1 -22.9 62.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.05 0.452 . . . . 0.0 110.488 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.0 m -67.24 -31.53 71.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.96 176.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.64 -43.54 84.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.606 -176.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -85.31 -2.41 58.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.208 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 59.92 59.17 2.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.406 HD11 HD21 ' B' ' 50' ' ' LEU . 67.9 mt -92.93 127.78 44.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -68.09 145.82 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.421 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 22.4 pttp -76.15 160.25 29.92 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.373 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.421 ' HG2' ' HG3' ' B' ' 63' ' ' LYS . 4.4 mm-40 58.54 36.99 25.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.38 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -103.19 157.41 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.297 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 27.1 m -101.88 112.56 25.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.793 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.25 148.88 24.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -95.58 123.41 39.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.699 HD23 HG22 ' B' ' 7' ' ' THR . 42.4 tp -95.36 119.84 34.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.573 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 57' ' ' PRO . 78.6 t -118.34 116.47 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.039 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.794 HD21 HD13 ' B' ' 36' ' ' ILE . 10.7 mp -81.66 143.8 31.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.335 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -86.74 -25.53 24.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.358 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 mt 55.6 86.68 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.871 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -88.62 -50.15 6.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.958 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.68 49.55 0.32 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.566 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.822 -178.722 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtp . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.861 0.363 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.24 -15.33 50.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 173.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t 78.12 168.17 0.22 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.07 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -173.47 -75.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.307 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 5.4 m -67.0 -33.73 76.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.196 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 5' ' ' SER . 32.3 mtmm 71.27 148.56 0.08 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.339 -175.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.604 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 95.4 mttt -63.66 145.39 55.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.627 -176.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -117.91 147.57 43.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -146.65 157.8 27.52 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.699 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.573 HG13 HG22 ' A' ' 64' ' ' VAL . 87.0 mt -112.09 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 11' ' ' VAL . 1.4 p -69.07 127.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.035 0.445 . . . . 0.0 110.648 178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -85.51 -54.83 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.286 -176.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 95.2 m-85 -93.09 142.78 26.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.03 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.685 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 13.7 t70 -77.4 118.31 19.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 82.5 t80 -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 111.541 -173.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.442 ' HA ' HG23 ' A' ' 24' ' ' THR . 81.9 mtp -97.74 135.98 38.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.869 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -94.75 155.27 16.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.128 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -114.23 -42.84 3.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.655 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -104.13 167.82 9.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -72.45 -19.01 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.197 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.61 -30.56 67.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.543 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 30.4 mt-10 -88.8 178.4 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.63 -175.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD21 ' HG ' ' A' ' 47' ' ' LEU . 68.8 tp -137.83 130.66 29.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.815 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.442 HG23 ' HA ' ' A' ' 16' ' ' MET . 19.5 m -77.8 107.59 10.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.923 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.558 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 12.8 pt -111.24 122.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 110.869 -176.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -77.91 143.9 37.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.174 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.676 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 48.4 t -61.15 115.66 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.939 0.4 . . . . 0.0 110.592 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.19 6.47 61.53 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.742 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.65 -179.45 6.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.924 0.362 . . . . 0.0 110.65 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -113.65 120.93 42.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.667 HG21 HD12 ' A' ' 61' ' ' ILE . 29.7 m -125.58 144.5 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.245 0.545 . . . . 0.0 111.921 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.477 ' CE2' HG22 ' A' ' 48' ' ' VAL . 53.4 m-85 -92.96 130.58 38.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.362 170.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.604 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 55.5 mt -89.49 98.82 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -72.57 -64.34 0.98 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.174 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -119.39 123.27 43.72 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.864 0.364 . . . . 0.0 110.516 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.41 15.55 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.057 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -109.56 -42.78 4.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -170.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.95 -28.64 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 111.109 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -135.23 164.88 26.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.385 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.94 4.6 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.538 0.685 . . . . 0.0 109.775 173.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.23 -52.62 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.562 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -117.19 112.39 20.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.198 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.458 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 37.4 m0 -100.77 165.16 11.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.553 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.1 mtp -99.17 106.33 18.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.473 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 99.5 m -117.63 157.96 25.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.784 0.326 . . . . 0.0 110.775 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 35.2 tt0 -133.04 128.35 36.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.688 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 31' ' ' VAL . 92.3 mt -67.17 125.91 27.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.921 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.477 HG22 ' CE2' ' A' ' 32' ' ' TYR . 61.8 t -64.39 -54.25 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 -175.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -72.74 -33.35 66.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.7 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.9 t -83.58 -48.84 9.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.044 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.7 53.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.248 -177.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.49 130.65 42.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.549 0.214 . . . . 0.0 110.609 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.43 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 6.0 p -115.73 144.12 44.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.903 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.64 43.23 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 95.9 mt -84.94 133.97 34.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.88 155.75 72.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.64 126.76 22.85 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.953 2.435 . . . . 0.0 112.32 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.388 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.525 HE22 HG22 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -78.46 -10.17 59.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.369 -177.058 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 13' ' ' TYR . 2.8 m-30 -90.16 -12.81 37.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 31' ' ' VAL . 45.8 mm -108.09 122.04 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -111.26 107.2 57.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 46.3 Cg_exo -55.96 141.21 86.44 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.01 2.473 . . . . 0.0 112.85 -176.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 10' ' ' ILE . 9.1 t -77.78 87.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 64' ' ' VAL . 12.3 tpt180 160.25 -26.73 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 -167.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 79.19 -0.38 2.32 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.32 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -166.5 126.6 1.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.78 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE2' ' CZ2' ' A' ' 43' ' ' TRP . 20.2 pttp -97.75 101.86 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.935 0.874 . . . . 0.0 110.713 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -104.54 -22.63 13.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.078 177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.622 HG23 ' HG3' ' A' ' 71' ' ' GLU . 9.9 t -169.62 -21.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.117 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.622 ' HG3' HG23 ' A' ' 70' ' ' THR . 43.3 mt-10 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.785 -0.626 . . . . 0.0 109.45 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.528 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.3 ptt? . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.267 0.556 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -129.43 141.56 51.01 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.721 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -129.9 164.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -111.72 107.08 16.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.599 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -92.04 93.86 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.258 0.551 . . . . 0.0 109.832 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 24.5 ttmm -91.53 108.55 19.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.989 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.59 HG22 HD23 ' B' ' 69' ' ' LEU . 46.9 p -73.04 167.83 20.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.298 0.571 . . . . 0.0 111.765 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.97 -29.69 70.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.589 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -79.92 3.11 20.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.082 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.73 20.91 58.9 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.986 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -103.12 112.85 25.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -90.38 101.28 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.574 . . . . 0.0 110.659 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.599 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 63.1 mt -89.13 120.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.1 m -87.89 111.87 21.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.655 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -119.55 128.46 53.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.307 -173.623 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.61 112.75 24.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.353 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.655 HG13 HD12 ' B' ' 15' ' ' LEU . 12.9 m -140.45 151.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.911 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.611 ' O ' HD12 ' B' ' 56' ' ' LEU . 40.6 mt-10 -66.22 150.45 48.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -177.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 m -67.78 -17.08 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.141 0.496 . . . . 0.0 110.509 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -110.13 17.61 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.229 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -75.03 169.06 18.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.299 -177.273 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.541 ' O ' HG23 ' B' ' 26' ' ' VAL . 60.5 p -100.35 149.32 23.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.511 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.432 HD13 HD23 ' B' ' 56' ' ' LEU . 34.7 mm -59.88 -32.43 49.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.302 0.572 . . . . 0.0 110.107 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.679 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 25.4 t70 -62.32 -46.69 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.857 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -63.48 -41.18 98.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.445 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.564 HG22 HG11 ' B' ' 17' ' ' VAL . 15.9 t -60.95 -46.68 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.76 -42.66 89.4 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.11 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -65.67 -34.63 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.431 -177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.98 -43.52 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.714 0.292 . . . . 0.0 110.781 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.448 HD11 HG21 ' B' ' 5' ' ' VAL . 71.2 mt -66.1 -34.7 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 0.0 109.863 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.02 -47.13 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.966 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.47 -29.13 65.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.092 0.472 . . . . 0.0 111.179 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -80.7 -60.51 2.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.653 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.27 -7.69 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.837 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 32.57 66.2 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.971 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.491 HG22 ' HG3' ' B' ' 41' ' ' GLN . 61.2 mt -103.27 120.36 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.66 0.266 . . . . 0.0 110.34 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 39.2 Cg_exo -60.74 137.75 75.01 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.86 2.373 . . . . 0.0 112.5 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 39.2 Cg_exo -61.34 -23.6 77.18 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.018 2.479 . . . . 0.0 112.007 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.73 -29.39 69.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.211 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 36.4 tt0 -96.34 -34.08 11.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.797 -175.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.491 ' HG3' HG22 ' B' ' 36' ' ' ILE . 34.9 mt-30 -62.06 117.0 5.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.181 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -118.0 98.67 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.606 HD23 HD13 ' B' ' 69' ' ' LEU . 94.0 mt -77.88 112.83 15.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.35 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mt -99.58 106.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.211 0.529 . . . . 0.0 111.129 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -108.87 118.44 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.453 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.93 29.43 18.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.941 0.401 . . . . 0.0 110.959 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.685 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 82.13 14.74 76.28 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.648 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -119.19 125.34 48.97 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -79.59 119.37 22.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.139 0.495 . . . . 0.0 111.043 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' B' ' 59' ' ' TYR . 23.5 mt -93.51 137.86 32.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.154 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -127.04 170.43 12.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.679 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -67.77 167.24 13.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.252 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.71 -43.48 2.75 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -79.57 156.9 27.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 110.454 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 32.3 p -102.71 164.85 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.611 HD12 ' O ' ' B' ' 18' ' ' GLU . 70.7 mt -63.95 -27.37 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.586 177.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 28.5 t -74.65 -26.09 59.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.117 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.93 -30.64 65.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -175.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.461 ' CD2' HD22 ' B' ' 50' ' ' LEU . 71.7 m-85 -95.15 7.98 44.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 59.87 39.54 20.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.49 129.01 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.945 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -101.31 -174.77 2.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.194 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 34.2 mmtp -67.02 147.87 52.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.299 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 42.95 43.52 3.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.237 1.015 . . . . 0.0 113.439 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -86.12 146.47 26.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.984 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -98.7 103.7 15.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.234 0.54 . . . . 0.0 111.095 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.52 150.23 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.735 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.539 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 62.5 m-70 -103.82 117.7 34.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.606 HD13 HD23 ' B' ' 43' ' ' LEU . 57.5 tp -88.28 100.84 13.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.231 0.538 . . . . 0.0 110.445 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.525 HG22 HE22 ' A' ' 59' ' ' GLN . 59.9 t -95.18 136.63 25.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.57 130.36 43.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.263 0.554 . . . . 0.0 111.187 -173.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 62.7 ttt180 -68.12 123.61 21.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.671 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.425 ' HG ' ' H ' ' B' ' 73' ' ' LEU . 1.8 pp -73.95 26.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' B' ' 72' ' ' ARG . 77.2 mtm180 64.0 103.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.572 0.749 . . . . 0.0 112.01 175.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.64 -148.17 5.87 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.646 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.917 0 CA-C-O 118.345 -1.253 . . . . 0.0 111.527 179.064 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.7 mtp . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.32 0.105 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.21 100.82 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.107 0.563 . . . . 0.0 111.571 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 p -128.38 149.31 50.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.211 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -85.51 89.83 7.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -65.13 -43.01 93.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 49.38 63.4 2.17 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.481 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.815 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.26 142.03 45.31 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.877 176.511 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -111.13 145.71 38.13 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.2 147.04 18.96 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.462 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.473 HG13 HG22 ' A' ' 64' ' ' VAL . 75.7 mt -111.69 107.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 25' ' ' ILE . 3.2 p -71.3 128.89 34.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.132 0.492 . . . . 0.0 110.78 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -95.84 -17.22 21.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.793 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 60' ' ' PHE . 94.9 m-85 -110.73 175.75 5.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.367 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -113.39 115.74 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 86.7 t80 -124.2 104.61 8.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.061 0.458 . . . . 0.0 110.668 -177.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.651 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.8 mpp? -88.11 116.08 26.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.736 175.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -65.44 135.45 55.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.817 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -94.89 -42.89 8.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -97.79 168.58 10.23 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.136 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -77.81 -20.09 53.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.25 -12.94 57.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.091 0.472 . . . . 0.0 110.862 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 41.8 mt-10 -91.35 161.78 14.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 37.8 tp -118.59 126.66 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 0.0 110.779 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.651 HG23 ' HA ' ' A' ' 16' ' ' MET . 30.7 m -75.2 111.62 10.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 11' ' ' VAL . 12.5 pt -122.96 132.69 70.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.494 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 1.7 mppt? -109.85 147.58 33.07 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 p -52.71 118.47 3.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 0.0 111.619 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.65 30.83 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.732 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -67.43 131.88 46.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.015 0.436 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HB3' HG11 ' A' ' 48' ' ' VAL . 3.4 tppt? -82.77 124.34 30.17 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 171.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 HD23 ' A' ' 47' ' ' LEU . 16.2 m -124.81 144.11 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.1 0.476 . . . . 0.0 111.346 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.6 112.16 23.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.05 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.646 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 41.5 mt -82.95 104.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.971 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.84 -50.28 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.609 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.541 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 12.1 t70 -117.21 116.95 28.27 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.7 p-10 -131.85 2.18 4.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.315 1.01 . . . . 0.0 110.672 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -114.18 -37.89 4.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -75.67 -31.18 59.65 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.195 -174.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -113.84 152.89 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -125.1 11.98 8.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.95 -52.82 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.947 -175.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -124.62 121.39 34.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.053 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -102.44 163.74 12.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.747 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.541 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 33.1 mtp -101.94 112.79 25.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.538 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 88.5 m -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.073 0.463 . . . . 0.0 111.058 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 59.1 tt0 -117.55 128.7 55.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.711 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.54 HD23 HG12 ' A' ' 31' ' ' VAL . 96.4 mt -67.75 116.27 8.25 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 30' ' ' LYS . 10.3 p -67.2 -30.38 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.866 0.841 . . . . 0.0 110.04 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.79 -42.15 41.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.806 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 m -95.46 -39.39 10.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.94 48.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.01 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -87.78 147.43 25.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.5 m -112.56 147.1 37.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.832 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -162.25 177.85 38.27 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.508 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.35 134.15 34.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.6 m -136.27 151.0 72.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.14 124.48 14.93 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.872 2.381 . . . . 0.0 112.062 176.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.88 -36.08 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.726 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.67 -28.56 68.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.531 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.438 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 5.0 m-30 -84.29 -20.46 32.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 111.358 -172.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.8 mm -92.57 127.6 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -176.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' OE2' ' HG3' ' A' ' 68' ' ' LYS . 12.1 tp10 -102.54 106.5 49.63 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.79 131.12 31.85 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.754 2.303 . . . . 0.0 112.491 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.473 HG22 HG13 ' A' ' 10' ' ' ILE . 14.8 t -79.88 65.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 122.051 0.929 . . . . 0.0 109.857 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 66' ' ' ASP . 82.1 mtp180 -133.16 -65.08 0.71 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 172.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.631 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 38.5 t70 171.19 116.23 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 114.341 -1.3 . . . . 0.0 109.002 168.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 16.8 ptmt 59.25 177.41 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.921 -178.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' HG3' ' OE2' ' A' ' 62' ' ' GLU . 27.2 mtpp -100.17 127.1 46.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.17 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -75.81 98.51 4.18 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -97.29 148.67 22.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.061 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.109 178.489 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.475 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 14.4 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.158 0.504 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.48 141.66 48.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.041 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.81 162.39 35.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.32 106.58 14.77 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.643 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.0 p -92.68 104.59 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.781 0.801 . . . . 0.0 110.086 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 52.1 tttm -99.98 112.87 25.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.412 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.586 HG22 HD23 ' B' ' 69' ' ' LEU . 68.8 p -69.82 169.12 13.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.136 0.493 . . . . 0.0 111.243 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.443 HD23 HG13 ' B' ' 70' ' ' VAL . 1.3 pp -72.48 -12.22 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.699 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -89.19 -19.52 25.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.332 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.32 9.45 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.655 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -94.51 103.2 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.928 0.394 . . . . 0.0 109.948 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 25.7 m -95.4 107.28 19.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.643 ' HB ' HG13 ' B' ' 5' ' ' VAL . 35.3 mt -97.8 130.0 47.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.3 m -82.26 111.03 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -114.46 121.57 43.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.668 -174.681 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -94.86 111.05 22.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.239 0.542 . . . . 0.0 110.365 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.616 HG11 HG22 ' B' ' 26' ' ' VAL . 2.8 m -141.81 140.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.696 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.405 ' O ' HD12 ' B' ' 56' ' ' LEU . 36.5 mm-40 -87.26 161.74 17.82 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -175.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -60.18 -22.46 62.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.125 0.488 . . . . 0.0 111.264 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.0 p -91.18 -5.56 54.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.758 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.05 152.42 27.89 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.27 0.557 . . . . 0.0 111.003 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.4 p -86.37 163.08 17.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.706 -178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.433 HG13 ' HE2' ' B' ' 59' ' ' TYR . 47.4 mm -65.24 -29.62 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.04 -48.86 77.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.463 174.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.857 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.616 HG22 HG11 ' B' ' 17' ' ' VAL . 9.0 t -60.48 -46.85 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.426 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 89.6 mttt -59.24 -39.09 81.68 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.921 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.4 m -61.64 -41.88 98.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.734 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.536 ' HB2' HD11 ' B' ' 15' ' ' LEU . 98.6 mttt -71.67 -29.89 65.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.996 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 26' ' ' VAL . 71.9 mt -72.59 -37.7 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.054 0.454 . . . . 0.0 109.956 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -63.74 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.408 0.623 . . . . 0.0 109.53 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.82 -32.98 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.684 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -77.69 -69.45 0.54 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.661 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -92.35 -21.54 20.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.78 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.07 41.42 7.54 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.611 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.16 127.42 28.34 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.6 Cg_endo -56.89 127.14 24.63 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.619 2.212 . . . . 0.0 111.964 177.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 48.9 Cg_exo -57.89 -33.33 96.91 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.267 2.644 . . . . 0.0 112.321 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.36 -35.29 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.61 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.548 ' NE2' HD13 ' B' ' 71' ' ' LEU . 22.8 tt0 -87.52 -18.39 29.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.208 -173.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 65.3 mt-30 -78.88 116.91 19.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.747 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -118.65 108.49 14.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.416 ' N ' HD12 ' B' ' 43' ' ' LEU . 5.9 mp -89.52 108.26 19.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 -174.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.658 HG12 ' HG2' ' B' ' 49' ' ' GLN . 62.8 mt -99.41 117.62 44.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.098 0.475 . . . . 0.0 110.378 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 76.0 t80 -126.59 110.89 13.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.548 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 37.58 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.852 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.78 -8.83 79.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.834 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -98.13 125.26 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.913 0.387 . . . . 0.0 110.458 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.658 ' HG2' HG12 ' B' ' 44' ' ' ILE . 50.0 mt-30 -94.8 113.46 25.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.125 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.82 126.55 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.639 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -123.67 167.84 13.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.999 0.428 . . . . 0.0 110.731 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -70.08 152.12 44.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.0 7.03 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -101.28 164.75 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 60.9 p -105.56 179.91 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.405 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -68.27 -23.22 64.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 109.827 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -75.64 -37.13 59.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.237 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.72 -45.96 85.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.432 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.433 ' HE2' HG13 ' B' ' 23' ' ' ILE . 72.0 m-85 -86.49 -13.93 44.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 64.89 68.5 0.51 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.246 0.546 . . . . 0.0 110.791 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -103.71 145.42 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.583 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -106.0 166.89 10.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.795 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.475 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 20.1 pttp -80.72 155.8 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 60.1 29.35 18.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.969 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.482 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 19.4 p -89.36 156.65 18.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.403 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.1 m -106.16 103.21 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 111.218 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.435 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.1 mp -89.64 153.08 21.02 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 79.8 m-70 -112.03 116.52 30.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.586 HD23 HG22 ' B' ' 7' ' ' THR . 43.2 tp -86.62 107.86 18.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 0.0 110.602 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.479 HG21 HD12 ' B' ' 44' ' ' ILE . 57.8 t -106.0 122.14 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.548 HD13 ' NE2' ' B' ' 40' ' ' GLN . 34.3 mt -89.63 147.89 23.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.905 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -88.77 -10.73 47.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.131 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 20.8 tp 61.9 50.33 4.26 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.674 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -106.99 -12.83 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.608 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.65 97.95 1.02 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.459 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.664 -1.076 . . . . 0.0 111.875 179.185 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.16 -30.6 68.29 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.6 m -81.11 35.66 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 111.43 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -79.4 78.11 5.92 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 m -108.61 111.43 23.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.042 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -102.11 81.57 2.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.363 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.703 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 68.0 mttm -81.41 153.25 27.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.787 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -106.71 134.86 49.22 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.99 137.3 9.14 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.547 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.421 HG13 ' CG2' ' A' ' 64' ' ' VAL . 63.8 mt -111.68 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 11' ' ' VAL . 2.7 p -69.59 126.86 30.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.287 0.565 . . . . 0.0 111.031 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -85.46 -53.6 5.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.973 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-85 -85.08 -169.62 2.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -105.45 144.1 32.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 72.0 t80 -140.82 124.48 16.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 176.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.9 mmt -106.69 128.92 54.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.22 119.56 19.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -90.75 -33.16 15.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.906 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 t -112.15 169.42 8.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -75.72 -13.27 60.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.221 0.534 . . . . 0.0 110.373 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -72.33 -37.65 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.039 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 4.7 mp0 -78.79 -178.3 5.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.448 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.616 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 34.3 tp -140.66 129.85 23.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.295 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 m -73.25 107.91 5.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.241 0.543 . . . . 0.0 110.803 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 20.8 pt -122.15 120.87 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.02 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.2 154.08 18.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.279 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.0 t -57.83 115.91 3.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.6 1.54 29.14 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.305 -176.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.48 171.65 14.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.021 0.439 . . . . 0.0 110.549 177.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.7 tttt -130.37 116.5 18.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.312 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.641 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 16.0 m -128.17 144.3 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.361 -174.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CE2' HG22 ' A' ' 48' ' ' VAL . 56.2 m-85 -95.06 135.2 36.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.385 170.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 48.7 mt -93.0 111.61 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.3 mt -81.9 -54.39 5.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.336 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.932 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.9 m-20 -120.63 106.43 11.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.59 -20.45 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.951 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.96 18.81 14.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.195 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.932 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 53.2 tttm -62.28 -45.6 92.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -125.0 -81.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.092 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -175.79 -54.67 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.921 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -97.21 -48.15 5.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.082 0.468 . . . . 0.0 110.202 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -71.96 109.61 5.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.202 0.525 . . . . 0.0 110.571 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 49.6 m0 -108.5 158.12 17.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.281 -176.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.424 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 41.1 mtp -98.52 100.4 11.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.641 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.5 p -99.62 150.62 22.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 52.0 tt0 -127.54 125.22 39.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.105 178.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.558 ' HG ' HD21 ' A' ' 23' ' ' LEU . 82.7 mt -66.14 127.89 33.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.275 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 30' ' ' LYS . 38.9 t -63.48 -31.18 51.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.743 -174.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.64 -63.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -109.93 -13.59 14.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 111.634 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' HA2' HE21 ' A' ' 46' ' ' GLN . . . 87.19 35.35 9.73 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.0 -177.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HB2' HD12 ' A' ' 47' ' ' LEU . 66.3 mttm -87.17 120.0 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -111.56 150.52 29.9 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.798 0.332 . . . . 0.0 110.955 -176.085 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.616 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -168.96 169.19 41.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.898 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.2 mm? -82.17 128.48 34.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.839 0.352 . . . . 0.0 110.773 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.23 149.62 61.5 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.01 139.63 80.09 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.272 2.648 . . . . 0.0 113.366 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.47 62.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.625 0.726 . . . . 0.0 109.262 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -63.22 -16.54 60.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.73 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.43 ' HD1' ' CD1' ' A' ' 13' ' ' TYR . 22.0 m-85 -114.65 -15.17 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.536 -177.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -175.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -92.24 113.0 57.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HB3' ' HB3' ' A' ' 66' ' ' ASP . 30.7 Cg_exo -61.58 120.9 8.78 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.577 2.185 . . . . 0.0 111.102 177.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.421 ' CG2' HG13 ' A' ' 10' ' ' ILE . 48.9 t -80.74 99.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 60.3 21.52 11.0 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.604 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' HB3' ' A' ' 63' ' ' PRO . 37.4 t70 -94.71 132.09 39.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.614 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -77.67 102.34 7.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.296 0.57 . . . . 0.0 112.245 -172.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -140.23 136.41 33.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.536 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -135.63 177.51 7.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.035 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.3 m -74.67 -35.59 62.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--O 1.252 1.201 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.338 171.72 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.688 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.087 0.47 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -116.5 146.73 42.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.554 ' HB ' HD13 ' B' ' 67' ' ' LEU . 26.1 pt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 173.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -88.97 94.65 10.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.107 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.51 100.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.488 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -89.73 108.59 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.924 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.564 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.5 p -75.81 167.99 20.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.202 -173.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 8' ' ' LEU . 4.5 tt -58.86 -33.7 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.552 174.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -76.1 -3.45 36.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.759 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.48 25.17 40.17 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.654 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -99.57 129.86 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -96.0 90.38 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.098 0.475 . . . . 0.0 109.841 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 mm -95.04 108.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.248 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -76.16 111.72 11.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.429 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.0 129.7 43.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -90.69 100.89 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.321 0.581 . . . . 0.0 109.452 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.47 163.52 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.885 -176.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -113.04 161.88 16.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -68.38 -18.06 64.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -94.08 -2.88 52.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.67 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.7 158.21 28.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.741 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 22.3 p -92.81 161.89 14.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.647 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -62.69 -30.13 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.66 -49.35 75.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.967 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.501 ' O ' HG13 ' B' ' 30' ' ' ILE . 19.3 t -60.65 -46.11 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 83.9 mttt -58.95 -41.44 87.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -67.22 -36.81 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.739 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -64.91 -40.58 95.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.015 0.435 . . . . 0.0 110.674 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 26' ' ' VAL . 52.7 mt -69.26 -36.97 75.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.086 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.3 tt0 -68.17 -31.62 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.137 0.494 . . . . 0.0 110.501 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.78 -41.57 83.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -87.12 -49.5 7.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.28 -48.85 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.444 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 99.2 41.54 2.99 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.613 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.542 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 49.9 mt -112.42 135.85 21.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.7 Cg_endo -53.17 128.67 30.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.905 2.403 . . . . 0.0 112.502 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.7 Cg_exo -58.73 -37.69 92.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.29 2.66 . . . . 0.0 113.611 -174.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.9 -30.13 68.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 0.0 110.431 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -79.82 -34.82 39.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.061 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.542 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 26.9 mt-30 -68.09 99.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 177.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -112.12 108.8 18.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.354 0.597 . . . . 0.0 110.427 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 85.4 mt -78.97 146.93 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.325 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -130.61 120.67 48.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -107.67 103.53 12.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.536 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.04 17.37 6.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.573 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.99 -16.7 13.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.071 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.21 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -67.27 143.25 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.93 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 27.3 mt -115.32 103.55 10.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.725 0.298 . . . . 0.0 110.955 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.28 154.54 19.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.647 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.8 p-10 -78.17 164.68 24.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 177.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.98 -10.34 60.27 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.392 -174.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.603 ' HD2' ' OH ' ' B' ' 59' ' ' TYR . 50.4 mtt180 -126.63 173.05 9.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.741 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 52.1 p -103.08 176.09 5.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.698 0.285 . . . . 0.0 110.968 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.96 -29.68 70.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 110.046 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -71.78 -22.55 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -73.75 -6.71 48.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.303 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.603 ' OH ' ' HD2' ' B' ' 54' ' ' ARG . 93.0 m-85 -123.77 13.49 9.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -177.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 65.07 21.23 12.2 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.239 0.542 . . . . 0.0 111.025 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.75 133.84 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -108.86 -177.96 3.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.41 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.688 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 96.9 mttt -73.35 147.18 44.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.826 -175.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 63.41 28.92 15.6 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.132 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.1 m -78.52 152.07 32.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.746 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 84.8 m -104.29 124.31 48.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.183 175.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.554 HD13 ' HB ' ' B' ' 3' ' ' ILE . 6.8 mp -120.56 169.93 9.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.963 0.411 . . . . 0.0 110.652 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -122.06 138.65 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.004 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.564 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 58.3 tp -106.47 102.16 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.873 0.368 . . . . 0.0 110.366 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.6 t -102.59 129.75 53.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.5 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.23 127.86 34.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.145 0.498 . . . . 0.0 110.598 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -70.27 133.14 46.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.477 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.98 30.14 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.061 0.458 . . . . 0.0 110.803 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -137.45 142.31 41.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.302 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.46 -62.02 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.767 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.338 -1.257 . . . . 0.0 111.803 178.649 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.7 mtp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.81 173.97 12.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.685 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m 65.82 172.58 0.23 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.508 0.671 . . . . 0.0 112.198 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -131.2 -48.41 1.0 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.95 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 p -139.89 -57.51 0.56 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.748 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -175.19 155.3 1.9 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 46.8 mttm -70.85 131.73 44.21 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 84.3 mtm180 -135.59 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.884 0.373 . . . . 0.0 111.07 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.86 174.07 32.44 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.579 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.462 HD12 ' HZ3' ' A' ' 68' ' ' LYS . 52.1 mt -127.99 129.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG21 HD12 ' A' ' 25' ' ' ILE . 2.5 p -87.01 127.15 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 0.0 111.006 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -102.46 -37.06 8.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.741 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.2 136.52 46.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.74 -176.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.45 138.94 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.185 177.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.449 ' HB3' HG12 ' A' ' 25' ' ' ILE . 82.2 t80 -140.88 139.48 34.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.002 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.409 ' HA ' HG23 ' A' ' 24' ' ' THR . 78.2 mtp -115.2 131.4 56.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.506 -176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.87 -39.78 10.06 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 m -102.77 158.68 16.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.326 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -70.06 -17.96 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 -177.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HB3' HD12 ' A' ' 55' ' ' LEU . 22.4 m-20 -74.65 -23.01 58.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.145 0.497 . . . . 0.0 110.371 177.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 42' ' ' TRP . 56.0 mt-10 -85.98 161.96 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.035 -173.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD21 ' HG ' ' A' ' 47' ' ' LEU . 55.2 tp -126.17 122.71 36.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.94 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 16' ' ' MET . 84.9 m -70.28 121.95 18.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.368 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 15' ' ' PHE . 16.6 pt -127.34 144.24 37.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.523 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -105.18 144.4 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.152 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -66.84 138.5 57.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.246 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.28 -0.04 61.67 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.876 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -91.23 158.13 16.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.192 0.52 . . . . 0.0 111.355 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 48' ' ' VAL . 12.6 mmmm -97.42 135.75 38.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.367 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.599 HG12 HD23 ' A' ' 47' ' ' LEU . 28.6 m -132.09 146.35 33.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.582 ' HB2' ' HB3' ' A' ' 46' ' ' GLN . 80.7 m-85 -91.17 154.78 19.09 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 36' ' ' ASP . 52.3 mt -115.22 121.37 67.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 121.094 0.473 . . . . 0.0 110.134 178.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 52.5 mt -80.11 -56.3 4.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.531 ' H ' ' HB2' ' A' ' 44' ' ' MET . 27.7 m-20 -132.66 123.15 25.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.331 176.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.608 ' HB3' HG21 ' A' ' 33' ' ' ILE . 9.1 p-10 -112.91 -7.6 13.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.494 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 12.7 ptpt -130.04 8.64 5.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.88 -28.43 49.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 p -148.26 151.91 36.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.132 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -99.66 -21.41 15.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.659 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.554 ' HB3' HD13 ' B' ' 8' ' ' LEU . 5.8 m-20 -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.768 -172.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 22' ' ' GLU . 37.4 m95 -123.61 143.55 50.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.457 -0.792 . . . . 0.0 108.952 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CZ3' ' HG3' ' A' ' 63' ' ' PRO . 43.1 m0 -113.57 159.84 19.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 0.0 111.488 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.531 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 67.7 mmm -92.65 97.18 10.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.302 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -105.65 146.23 29.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.321 0.582 . . . . 0.0 111.794 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 38.0 tt0 -121.46 118.85 30.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.947 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.599 HD23 HG12 ' A' ' 31' ' ' VAL . 95.8 mt -70.44 118.2 12.95 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 30' ' ' LYS . 8.8 p -63.56 -36.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.603 0.716 . . . . 0.0 110.103 176.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.18 -60.35 3.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.517 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.9 m -104.66 -38.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.79 17.98 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.835 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.33 141.01 58.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 111.216 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -125.49 156.53 38.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.46 -173.33 45.73 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.538 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.402 HD12 ' HB3' ' A' ' 21' ' ' ASP . 87.5 mt -88.1 127.66 35.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 110.834 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.13 153.79 81.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.807 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.5 123.75 13.71 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.447 2.098 . . . . 0.0 111.704 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -31.89 64.61 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 59' ' ' GLN . 8.1 tt0 -78.34 -6.71 55.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.681 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -93.23 -4.24 52.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.167 -0.333 . . . . 0.0 110.904 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mm -121.15 133.76 66.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.253 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -95.65 109.83 47.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 167.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.1 Cg_exo -76.39 115.77 4.17 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.214 1.942 . . . . 0.0 110.674 177.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.1 p -82.82 78.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.273 1.035 . . . . 0.0 110.206 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 65' ' ' ARG . 17.4 mtm180 -93.48 -33.31 13.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.906 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -160.12 -61.89 0.06 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.019 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -117.63 146.95 43.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.528 . . . . 0.0 111.994 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.462 ' HZ3' HD12 ' A' ' 10' ' ' ILE . 15.2 mtpp -129.86 159.48 36.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.933 176.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -84.58 -40.44 17.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.872 0.368 . . . . 0.0 110.389 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.3 p -78.8 95.76 5.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.391 0.615 . . . . 0.0 112.04 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.055 174.129 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.577 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 17.3 ptt? . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -112.93 123.98 51.57 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.411 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.438 ' HB ' HD13 ' B' ' 67' ' ' LEU . 35.5 pt -117.42 146.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.54 173.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -95.38 102.88 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.364 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.9 t -94.6 108.52 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.718 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.91 111.28 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.504 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.622 HG22 HD23 ' B' ' 69' ' ' LEU . 47.4 p -77.02 165.01 25.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.893 HD11 ' H ' ' B' ' 71' ' ' LEU . 49.0 mt -51.42 -34.8 36.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 111.471 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -83.67 2.04 39.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.927 -172.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.33 0.33 61.38 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.772 -0.727 . . . . 0.0 113.063 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -71.38 111.82 7.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.7 m -95.0 95.16 8.42 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 mt -100.77 113.08 35.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.112 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -76.07 111.59 11.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.45 131.68 54.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -81.87 105.0 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.521 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.06 141.99 43.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.312 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.562 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.4 OUTLIER -92.22 154.81 18.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.9 p -64.94 -26.62 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.257 0.551 . . . . 0.0 110.325 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.3 m -85.68 0.18 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.537 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.0 m-20 -79.5 152.69 30.06 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 53.7 p -91.58 159.98 15.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.763 174.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.594 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.4 mm -61.43 -29.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 172.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.95 -47.93 83.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.283 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.679 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.4 t30 -69.97 -36.28 75.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.32 -177.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -60.59 -40.69 85.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 86.0 mttt -61.29 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.365 178.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.9 p -73.17 -26.75 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.253 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.5 mttm -62.22 -49.0 77.49 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.6 mt -71.57 -35.41 56.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.548 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 24.1 tm0? -62.73 -29.36 70.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.077 0.465 . . . . 0.0 109.941 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.05 -52.18 7.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.968 176.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -64.94 -53.5 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.762 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -100.88 -40.46 7.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.787 0.327 . . . . 0.0 111.206 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 102.04 40.77 2.58 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.689 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.518 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 27.6 mt -106.7 122.81 40.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 122.698 -0.295 . . . . 0.0 110.28 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.3 Cg_endo -51.35 128.72 26.51 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.496 2.797 . . . . 0.0 112.9 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HG3' ' B' ' 31' ' ' GLN . 38.9 Cg_exo -61.64 -34.64 83.84 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.37 2.713 . . . . 0.0 113.202 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.94 -28.26 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 0.0 110.229 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 36.1 tt0 -78.98 -36.02 42.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.57 ' HB3' HD11 ' B' ' 69' ' ' LEU . 27.5 mt-30 -70.02 116.51 10.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.121 -176.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 70.6 mtp180 -118.15 111.14 18.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.817 173.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -87.17 132.83 33.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.403 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.18 121.58 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 110.266 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -128.76 112.73 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.624 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 39.48 27.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.658 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.48 -4.78 80.59 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.515 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.12 112.98 25.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.707 0.289 . . . . 0.0 110.471 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -72.42 115.05 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 67.6 mt -84.59 106.12 15.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.346 0.593 . . . . 0.0 111.617 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -77.13 141.12 40.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.225 174.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.594 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.4 p30 -85.71 150.18 24.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.08 -4.37 30.2 Favored Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -167.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -122.14 165.79 15.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 75.2 p -101.65 168.32 9.55 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.25 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.6 t -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.739 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.13 -42.23 84.78 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.978 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -89.45 -13.54 37.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 60.28 76.96 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.678 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.4 132.22 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.593 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.44 177.66 6.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.17 0.51 . . . . 0.0 111.035 -175.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.577 ' HG3' ' HB2' ' B' ' 1' ' ' MET . 25.0 ttpp -86.1 152.16 23.09 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 172.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 72.29 8.05 5.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.507 0.504 . . . . 0.0 110.761 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 56.2 m -79.17 143.22 35.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 0.0 111.06 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 33.2 m -101.93 117.63 35.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.88 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.438 HD13 ' HB ' ' B' ' 3' ' ' ILE . 6.9 mp -108.35 147.33 31.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.562 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -111.85 127.82 55.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.622 HD23 HG22 ' B' ' 7' ' ' THR . 43.3 tp -100.53 103.66 15.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.1 0.476 . . . . 0.0 110.945 -175.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.623 HG13 HD21 ' B' ' 8' ' ' LEU . 23.1 t -98.31 127.99 50.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.09 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.893 ' H ' HD11 ' B' ' 8' ' ' LEU . 87.6 mt -101.15 134.38 44.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.154 0.502 . . . . 0.0 111.523 -172.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 37.9 ttt180 -67.51 139.88 57.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.879 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -76.33 8.13 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 65.68 -67.57 0.13 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.779 0.832 . . . . 0.0 111.252 -178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -171.01 75.77 0.1 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.826 -0.986 . . . . 0.0 111.946 -177.278 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.566 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 69.3 mtm . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.96 60.3 6.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.11 0.481 . . . . 0.0 110.285 176.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -95.93 169.78 9.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.794 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -79.0 102.0 8.1 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m 73.56 138.87 0.06 Allowed 'General case' 0 C--O 1.232 0.163 0 O-C-N 124.117 0.885 . . . . 0.0 111.552 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -74.01 110.91 8.68 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 92.8 mttt -67.18 145.91 54.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.078 -174.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -109.88 128.37 55.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.469 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -136.25 162.26 25.04 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.478 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.7 mt -126.45 133.02 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.613 HG21 HD12 ' A' ' 25' ' ' ILE . 3.4 p -82.7 136.68 22.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -99.4 -25.87 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.103 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -125.96 146.74 49.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.618 0.247 . . . . 0.0 111.052 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.95 128.95 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 87.1 t80 -127.54 110.42 12.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.136 0.493 . . . . 0.0 110.071 177.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.645 ' HA ' HG23 ' A' ' 24' ' ' THR . 82.5 mtp -93.34 118.14 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.879 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -70.64 140.39 51.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.208 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.24 -19.87 16.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.1 p -123.06 173.24 7.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -72.97 -25.12 60.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.537 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB3' HD12 ' A' ' 55' ' ' LEU . 2.1 m-20 -65.78 -38.93 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.323 0.582 . . . . 0.0 110.842 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.654 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 16.3 mt-10 -82.12 156.74 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.773 -175.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD21 ' HG ' ' A' ' 47' ' ' LEU . 59.7 tp -107.99 119.15 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.645 HG23 ' HA ' ' A' ' 16' ' ' MET . 36.0 m -70.64 113.44 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 177.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.613 HD12 HG21 ' A' ' 11' ' ' VAL . 9.2 pt -119.17 149.72 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.326 -174.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -116.29 145.33 43.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.761 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -56.29 117.96 4.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.898 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -12.57 31.11 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.438 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.6 138.83 55.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.618 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -91.83 133.1 35.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.237 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.673 HG21 HD12 ' A' ' 61' ' ' ILE . 8.2 m -129.16 140.26 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.16 0.505 . . . . 0.0 111.447 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 28.5 m-85 -89.07 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.335 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.1 mt -91.59 113.2 26.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.942 0.401 . . . . 0.0 110.047 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 3.3 mm? -82.99 -59.67 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.131 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.477 ' H ' ' HB2' ' A' ' 44' ' ' MET . 8.7 t70 -129.67 119.21 23.16 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.426 177.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.526 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 11.8 p-10 -118.79 18.78 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.177 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -111.51 -30.11 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.834 -170.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 35' ' ' ASP . 45.7 mmtm -70.51 -34.58 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.091 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -147.48 166.8 26.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.033 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.672 ' HD3' ' H ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -122.74 8.69 9.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.519 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.516 ' HA ' HD22 ' B' ' 8' ' ' LEU . 9.9 m-20 -102.85 -52.58 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.692 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -124.13 137.14 54.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.686 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 27.3 m0 -120.95 162.11 20.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.475 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.585 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 80.4 mmm -90.93 121.24 32.59 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 173.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.464 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 90.6 m -134.47 155.38 50.45 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.739 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -127.56 130.36 48.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.052 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.477 HD21 HG22 ' A' ' 25' ' ' ILE . 96.2 mt -66.43 114.02 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 32' ' ' TYR . 68.8 t -58.26 -30.82 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 0.0 110.796 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.41 -53.27 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.969 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -96.57 -40.38 9.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.72 -3.93 36.55 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.58 145.59 38.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.563 0.221 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 t -127.89 165.72 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.79 0.329 . . . . 0.0 110.249 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.59 -171.73 44.21 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' ' 21' ' ' ASP . 77.6 mt -87.03 129.7 34.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.324 . . . . 0.0 110.896 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 30.7 m -134.69 147.56 63.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 19.0 Cg_exo -66.9 126.43 15.25 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.641 2.227 . . . . 0.0 111.695 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.32 -15.47 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.29 -174.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.819 HE21 ' HG ' ' B' ' 8' ' ' LEU . 11.3 pt20 -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.254 -177.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -110.86 -9.53 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.309 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 31' ' ' VAL . 49.3 mm -101.13 114.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -108.79 106.06 58.12 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 22.7 Cg_exo -65.51 131.92 29.45 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.61 2.207 . . . . 0.0 111.423 175.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m -78.04 -43.96 27.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.691 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -167.91 131.8 1.69 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.688 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB3' ' H ' ' A' ' 67' ' ' LYS . 14.5 t70 178.68 -84.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 9.9 mmtp -163.55 95.01 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.761 170.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.503 ' HD3' ' HB2' ' A' ' 63' ' ' PRO . 50.1 mtmt -94.62 -8.15 38.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.227 0.536 . . . . 0.0 110.402 177.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -113.7 150.32 33.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.944 176.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.2 p -85.01 137.46 33.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.316 -0.85 . . . . 0.0 109.707 -179.566 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.674 0.749 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -97.05 125.58 41.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.009 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -117.53 152.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -104.21 98.3 8.13 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.467 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -86.22 106.2 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.749 0.785 . . . . 0.0 110.137 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -93.34 106.64 18.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.478 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.567 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 63.3 p -74.79 170.1 16.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.819 ' HG ' HE21 ' A' ' 59' ' ' GLN . 2.4 tt -61.56 -30.05 70.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.204 177.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.8 p -81.31 -2.15 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.756 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.87 1.16 73.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.519 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -75.74 113.37 13.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -100.94 105.22 16.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.015 0.436 . . . . 0.0 110.114 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.467 ' HB ' HG13 ' B' ' 5' ' ' VAL . 53.3 mt -99.35 135.04 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 -176.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -82.77 111.45 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.567 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.06 126.04 52.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -91.53 104.62 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.19 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.567 HG13 HD12 ' B' ' 15' ' ' LEU . 31.2 m -134.9 154.7 37.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.656 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.42 156.33 23.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.629 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 12.9 m -66.25 -23.96 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.399 . . . . 0.0 111.34 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -82.27 -0.48 45.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.931 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -99.4 164.18 12.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.679 0.276 . . . . 0.0 110.543 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -91.05 164.06 14.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.503 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.421 HD12 HD23 ' B' ' 50' ' ' LEU . 49.9 mm -65.37 -29.58 47.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.276 0.56 . . . . 0.0 109.694 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 11.2 t70 -64.04 -41.55 97.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.421 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.673 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 23.9 t-20 -62.8 -42.49 99.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.796 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.515 ' O ' HG13 ' B' ' 30' ' ' ILE . 63.5 t -58.68 -42.11 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.405 174.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 91.2 mttt -53.77 -47.61 70.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.153 177.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -65.98 -34.91 79.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.989 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.673 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.4 mttm -67.89 -29.75 68.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.675 0.274 . . . . 0.0 110.976 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.515 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -75.69 -41.6 40.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.756 0.312 . . . . 0.0 110.21 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.432 ' HG3' ' HA2' ' B' ' 35' ' ' GLY . 27.3 tt0 -63.7 -34.75 78.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 109.892 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.7 -30.23 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 44.1 mmtm -91.02 -69.37 0.74 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.719 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.95 -48.36 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.33 -171.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.432 ' HA2' ' HG3' ' B' ' 31' ' ' GLN . . . 118.82 -3.6 14.73 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.516 175.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.01 129.01 91.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.795 0.298 . . . . 0.0 110.794 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -56.06 132.98 55.22 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.088 2.525 . . . . 0.0 113.026 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -60.45 -26.87 83.74 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.481 2.787 . . . . 0.0 112.792 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.6 -27.28 67.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.421 0.629 . . . . 0.0 110.34 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -96.31 -29.28 14.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.486 ' HB3' HD11 ' B' ' 69' ' ' LEU . 26.0 mt-30 -72.93 117.81 15.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.782 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.616 ' HD2' ' HB2' ' B' ' 72' ' ' ARG . 74.4 mtp180 -121.4 126.24 48.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 6.4 mp -97.24 138.59 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -178.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -125.27 125.47 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.479 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -128.74 111.08 12.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.173 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 16.96 9.58 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.81 -15.51 44.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.588 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.0 ttmm -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -91.51 124.2 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.881 0.372 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.3 mp -93.92 110.7 22.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.524 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -99.77 168.18 10.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.562 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 1.3 p30 -79.2 19.93 0.54 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.165 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.5 0.03 30.88 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.131 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.521 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 72.3 mtt-85 -137.37 174.25 10.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.118 0.459 . . . . 0.0 111.141 -178.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.4 p -102.49 179.18 4.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.654 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.0 mp -66.13 -31.44 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 110.516 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 t -68.21 -31.7 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.626 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.06 -37.14 86.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.588 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 97.8 m-85 -95.66 2.04 53.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.9 m120 57.69 40.35 26.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.277 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.416 HD12 ' HG ' ' B' ' 56' ' ' LEU . 81.3 mt -69.61 124.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.217 -177.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -83.43 165.91 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.727 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -74.77 142.51 44.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.286 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 62.21 30.95 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.779 0.674 . . . . 0.0 111.196 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 p -85.92 155.56 20.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -101.41 103.65 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.233 0.54 . . . . 0.0 110.908 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.401 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.5 mp -93.71 144.13 25.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.499 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -97.85 125.28 42.65 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.567 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 44.2 tp -99.98 110.08 22.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.088 0.47 . . . . 0.0 110.367 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.413 HG22 ' NE2' ' A' ' 59' ' ' GLN . 40.4 t -111.5 136.27 48.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.721 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.69 143.13 29.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.032 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.616 ' HB2' ' HD2' ' B' ' 42' ' ' ARG . 32.2 ttm180 -82.84 -3.0 56.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 175.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 81.6 mt 63.02 85.76 0.13 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.898 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -93.17 108.36 19.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 173.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.83 34.19 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.869 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 119.091 -0.838 . . . . 0.0 111.036 178.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.33 114.78 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.379 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -142.11 -179.58 6.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.809 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.81 -50.19 71.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.874 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -67.42 107.58 2.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.129 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.12 -176.91 6.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.273 -173.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.578 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 67.2 mttt -97.46 136.09 38.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.503 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -117.99 150.5 39.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.288 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.92 159.13 28.31 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.175 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -124.16 125.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -79.0 126.96 39.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.766 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -100.28 -23.86 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.961 -175.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -123.46 134.23 53.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.52 137.01 58.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.243 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.551 ' HB3' HG12 ' A' ' 25' ' ' ILE . 54.6 t80 -130.73 109.04 10.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.997 0.427 . . . . 0.0 111.101 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.438 ' HA ' HG23 ' A' ' 24' ' ' THR . 26.5 mmt -86.56 126.97 34.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.768 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -78.55 122.91 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 111.391 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HB2' ' NE2' ' B' ' 49' ' ' GLN . 10.9 tp10 -88.82 -50.03 6.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 t -93.18 164.35 13.28 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -77.58 -7.32 56.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.995 0.426 . . . . 0.0 111.095 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.24 -27.37 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.37 0.605 . . . . 0.0 109.758 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 35.9 mt-10 -79.68 153.02 29.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.021 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.636 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 47.3 tp -105.72 121.46 44.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 ' HA ' ' A' ' 16' ' ' MET . 4.1 m -76.78 107.1 8.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.892 0.377 . . . . 0.0 110.209 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.551 HG12 ' HB3' ' A' ' 15' ' ' PHE . 14.5 pt -123.78 155.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.467 -173.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -115.91 150.2 37.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.557 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 t -61.68 123.06 16.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.93 -6.17 37.17 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.868 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.64 155.45 31.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.277 0.561 . . . . 0.0 111.132 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB3' HG11 ' A' ' 48' ' ' VAL . 3.6 tmtp? -104.16 129.67 51.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.393 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.522 HG12 HD23 ' A' ' 47' ' ' LEU . 27.7 m -134.49 163.67 36.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.375 0.607 . . . . 0.0 112.053 -177.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.767 ' CE2' HG23 ' A' ' 48' ' ' VAL . 24.8 m-85 -100.84 146.12 27.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.0 mt -103.12 126.24 57.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.8 mm? -98.16 -74.16 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.246 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 14.4 t0 -105.58 112.48 25.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.606 -177.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -122.0 -58.17 1.74 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -66.07 -7.86 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -171.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -77.87 -19.96 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -151.17 167.54 27.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -120.54 13.71 11.77 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.538 ' HB3' HD13 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -114.87 -68.16 0.94 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.054 -170.535 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.523 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 60.0 m95 -118.35 134.48 55.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.206 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -119.25 154.48 33.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.968 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.446 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 41.0 mtp -95.9 124.67 40.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.4 m -132.21 157.95 43.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.103 0.477 . . . . 0.0 111.046 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 35.3 tt0 -132.03 133.94 44.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.173 -177.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.522 HD23 HG12 ' A' ' 31' ' ' VAL . 97.1 mt -59.84 119.36 7.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.767 HG23 ' CE2' ' A' ' 32' ' ' TYR . 14.0 p -50.07 -49.6 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.951 0.782 . . . . 0.0 113.083 -167.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 48' ' ' VAL . 3.7 p-10 -90.34 -35.43 15.24 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.357 -175.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 m -78.06 -43.36 29.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -170.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.74 -9.56 56.99 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.544 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HB2' HD12 ' A' ' 47' ' ' LEU . 96.2 mttt -67.48 119.37 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.5 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -116.79 141.63 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.357 -177.491 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.636 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -161.95 -175.78 33.34 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.167 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 28.2 tp -100.43 128.49 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.495 HG11 HD13 ' A' ' 25' ' ' ILE . 29.8 m -135.12 158.13 75.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.939 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.33 134.74 37.24 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.628 2.218 . . . . 0.0 111.946 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.75 73.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.975 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.58 HE21 HD23 ' B' ' 8' ' ' LEU . 9.8 pt20 -80.56 3.45 21.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.103 -176.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.87 -20.22 16.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.069 0.461 . . . . 0.0 110.181 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -107.77 126.96 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.376 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 12.6 tp10 -103.76 106.02 50.61 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 62' ' ' GLU . 14.9 Cg_exo -68.34 120.6 7.55 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.239 2.626 . . . . 0.0 113.027 -174.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 68' ' ' LYS . 5.6 p -102.5 91.42 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.997 0.903 . . . . 0.0 109.735 176.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' C ' ' H ' ' A' ' 67' ' ' LYS . 21.1 mtm180 -112.09 92.6 4.09 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.781 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 72.13 -37.8 0.4 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.195 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 65' ' ' ARG . 71.7 mmtt -138.07 157.06 47.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HB2' HG23 ' A' ' 64' ' ' VAL . 4.8 ttpm? -129.61 143.17 50.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -132.42 147.33 52.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.706 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.8 p -122.75 -37.98 2.69 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.931 172.475 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.643 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 21.0 ptt? . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.683 0.754 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.454 ' HB2' ' OE1' ' B' ' 64' ' ' GLU . 95.6 mt-30 -107.06 120.47 42.18 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.407 -1.27 . . . . 0.0 111.299 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.667 ' HB ' HD13 ' B' ' 67' ' ' LEU . 43.2 pt -120.48 133.18 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 169.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 92.6 m-85 -90.87 102.29 15.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.025 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.6 t -83.01 105.8 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -102.34 110.35 22.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.913 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.655 HG22 HD23 ' B' ' 69' ' ' LEU . 47.0 p -82.71 174.28 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.15 0.5 . . . . 0.0 111.969 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.813 HD11 ' H ' ' B' ' 71' ' ' LEU . 30.8 mt -60.76 -34.37 74.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.694 174.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -84.75 -10.88 56.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.426 -169.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.73 9.01 31.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.758 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -84.04 107.04 16.16 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 10.8 m -106.63 92.54 4.15 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -104.53 129.63 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.576 -175.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -74.99 111.67 10.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.109 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 128.85 44.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -89.62 95.01 10.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.869 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' B' ' 1' ' ' MET . 9.9 m -128.11 152.99 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.764 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -97.57 167.09 11.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -67.92 -24.73 65.23 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.972 0.415 . . . . 0.0 111.442 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -89.21 0.52 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.038 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.69 142.12 38.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 34.2 p -86.34 152.68 22.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.426 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 49.5 mm -57.78 -38.25 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.767 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 1.3 p30 -60.45 -38.93 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.165 177.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.619 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 11.1 t-20 -70.03 -38.67 75.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.442 HG21 HD21 ' B' ' 56' ' ' LEU . 60.6 t -62.52 -41.61 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.404 176.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 98.8 mttt -57.49 -43.11 83.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 109.866 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t -66.41 -36.56 83.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.013 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.5 mttm -57.84 -43.32 85.79 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 109.994 176.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.92 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.561 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.46 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 62.2 tt0 -61.96 -39.35 91.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 176.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.646 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -74.38 -77.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.958 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.56 -6.62 25.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.528 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.68 43.75 7.15 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.393 175.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.5 mt -105.97 121.47 45.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.4 Cg_exo -56.65 128.91 31.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.18 2.586 . . . . 0.0 113.392 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.7 Cg_exo -61.3 -35.67 83.28 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.373 2.715 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.21 -19.27 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.679 HE22 HD13 ' B' ' 71' ' ' LEU . 0.4 OUTLIER -100.52 -7.78 23.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.617 -174.431 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.686 ' HB3' HD11 ' B' ' 69' ' ' LEU . 25.6 mt-30 -103.93 134.22 47.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.601 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -133.32 113.19 12.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.05 0.453 . . . . 0.0 109.907 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -85.01 152.46 23.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.339 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 67.4 mt -137.26 127.35 38.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.747 0.308 . . . . 0.0 110.328 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -132.66 120.19 21.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.47 27.6 17.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.652 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.43 -17.98 57.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.279 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -91.51 127.56 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.568 ' NE2' ' HB2' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -77.39 143.18 38.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.194 0.521 . . . . 0.0 110.536 178.762 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 9.2 mt -111.32 112.57 24.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.614 -176.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -117.39 179.24 4.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.336 0.588 . . . . 0.0 111.859 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' B' ' 24' ' ' ASP . 6.8 m-20 -68.81 149.58 48.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.078 -173.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.74 -41.85 2.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.567 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 17.1 mmt180 -97.22 162.09 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.8 p -95.51 178.38 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.951 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.442 HD21 HG21 ' B' ' 26' ' ' VAL . 3.7 mm? -64.01 -34.55 78.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.359 0.6 . . . . 0.0 109.907 173.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 t -74.32 -31.15 62.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.132 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 13.3 t70 -65.35 -45.15 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.184 -177.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' B' ' 54' ' ' ARG . 48.9 m-85 -79.82 5.65 13.07 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 60.91 67.98 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.603 0.716 . . . . 0.0 110.358 -177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.0 mt -113.59 129.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.236 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -92.05 164.62 13.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.643 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 56.8 pttt -86.31 169.14 13.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.454 ' OE1' ' HB2' ' B' ' 2' ' ' GLN . 7.7 mm-40 62.18 20.33 11.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.309 0.575 . . . . 0.0 110.217 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -108.75 157.38 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.033 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 17.7 m -100.81 117.67 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 111.002 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.667 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.3 mp -99.54 138.74 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.388 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -96.58 121.49 38.47 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.177 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' B' ' 41' ' ' GLN . 46.7 tp -97.11 100.76 12.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.24 0.543 . . . . 0.0 110.588 -178.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.534 HG13 HD21 ' B' ' 8' ' ' LEU . 45.1 t -96.92 120.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.209 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.813 ' H ' HD11 ' B' ' 8' ' ' LEU . 74.4 mt -86.44 156.05 20.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.769 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.76 -8.26 54.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 93.0 mt 58.55 57.81 3.63 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -173.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 58.41 87.49 0.07 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.567 -171.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.12 81.13 0.29 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.959 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -178.889 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.34 78.47 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 173.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -81.92 107.68 14.82 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.702 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -97.35 34.48 1.78 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.235 -173.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p 48.05 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.002 0.814 . . . . 0.0 111.279 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' HD3' HD23 ' A' ' 34' ' ' LEU . 24.1 ttmm -59.18 123.95 18.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.846 -174.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 11.3 ptmt -40.64 119.53 1.12 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.326 175.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 81.1 mtp180 -105.54 155.32 19.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.293 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.85 168.83 28.06 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.924 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -130.31 131.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.707 HG21 HD12 ' A' ' 25' ' ' ILE . 5.3 p -83.9 134.15 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 110.821 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -99.35 -11.89 20.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.037 -174.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.36 171.59 11.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.015 0.436 . . . . 0.0 111.234 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.17 155.29 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.693 171.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -160.22 132.3 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.669 0.271 . . . . 0.0 110.887 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.401 ' HA ' HG23 ' A' ' 24' ' ' THR . 65.4 mtt -100.1 127.15 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.849 176.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -81.14 156.1 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.893 0.378 . . . . 0.0 111.283 -178.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -114.84 -46.37 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.266 0.555 . . . . 0.0 110.002 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -99.26 168.45 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.44 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.558 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.34 -34.86 79.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.45 0.643 . . . . 0.0 110.217 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 28.5 mt-10 -89.02 160.23 17.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.972 -171.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.491 HD21 ' HG ' ' A' ' 47' ' ' LEU . 60.9 tp -126.18 123.72 38.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.401 HG23 ' HA ' ' A' ' 16' ' ' MET . 93.6 m -71.65 119.83 16.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.505 177.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 11' ' ' VAL . 12.1 pt -123.58 153.73 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.984 -176.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -127.45 149.57 50.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.6 m -54.86 116.86 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.353 0.408 . . . . 0.0 110.391 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.49 -10.26 30.62 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.148 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 11' ' ' VAL . 11.8 m-20 -67.13 127.06 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.239 0.52 . . . . 0.0 110.366 176.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -79.35 127.06 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.619 HG12 HD23 ' A' ' 47' ' ' LEU . 17.0 m -128.51 150.78 34.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.393 0.616 . . . . 0.0 112.414 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.538 ' CE2' HG22 ' A' ' 48' ' ' VAL . 62.8 m-85 -96.34 131.27 43.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.097 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.575 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 55.6 mt -91.32 110.09 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 43.5 mt -80.02 -74.73 0.29 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.635 ' H ' ' HB2' ' A' ' 44' ' ' MET . 1.7 m-20 -121.58 136.34 54.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.313 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -128.53 -62.85 1.01 Allowed 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -53.65 -26.61 23.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -71.36 -19.46 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.3 m -127.94 157.72 39.8 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -126.31 2.64 7.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.682 0.753 . . . . 0.0 109.863 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -124.89 -51.67 1.68 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.192 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.603 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 71.5 m95 -122.8 118.26 27.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.003 0.43 . . . . 0.0 110.803 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -101.99 157.12 17.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.635 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.3 mmm -87.19 112.3 21.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.675 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 92.8 m -129.85 149.65 51.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.749 0.309 . . . . 0.0 110.997 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -122.81 124.91 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.203 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 31' ' ' VAL . 96.2 mt -67.27 122.11 17.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.337 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.538 HG22 ' CE2' ' A' ' 32' ' ' TYR . 38.5 t -66.86 -25.66 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.636 0.731 . . . . 0.0 110.204 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.66 -11.84 44.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.797 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 22.8 t -126.92 -35.85 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.904 -174.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.16 -6.43 75.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.009 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -82.46 137.06 34.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 p -115.34 156.51 25.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.63 -175.45 47.27 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.961 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.603 ' HB3' ' HB3' ' A' ' 42' ' ' TRP . 3.9 mm? -87.32 124.32 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.411 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.88 153.94 70.85 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.042 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 115.32 2.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.515 2.144 . . . . 0.0 112.067 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.925 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 8.6 tt0 -70.14 -12.17 61.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.343 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -94.5 -8.38 38.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.591 0.234 . . . . 0.0 111.175 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.28 137.2 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.998 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -116.96 108.17 44.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.04 115.44 4.27 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.917 2.411 . . . . 0.0 112.137 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -97.68 -9.28 9.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.574 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -64.31 -16.82 62.91 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.407 -175.349 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 12.1 t70 -166.11 -12.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.342 . . . . 0.0 110.332 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' H ' ' H ' ' A' ' 66' ' ' ASP . 28.3 mtpp 76.65 161.19 0.22 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.021 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -80.73 151.84 28.66 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -127.39 -90.0 0.53 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.344 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.7 m -108.37 91.05 3.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.046 -175.372 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.611 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 21.1 ptt? . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.021 0.439 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -124.43 130.7 52.96 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -119.97 154.66 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.342 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -99.14 107.73 20.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.709 0.29 . . . . 0.0 110.245 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -91.77 96.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.957 0.408 . . . . 0.0 109.933 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.17 108.16 18.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.842 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.409 HG22 HD23 ' B' ' 69' ' ' LEU . 72.0 p -76.32 173.12 11.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.354 -177.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' B' ' 70' ' ' VAL . 24.1 mt -61.25 -32.34 72.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 178.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.9 p -84.71 1.78 44.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.359 -172.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 26.24 33.49 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.909 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -104.15 119.89 39.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -91.74 95.28 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.897 0.38 . . . . 0.0 110.642 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.78 116.66 30.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -78.01 116.42 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.466 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 15' ' ' LEU . 1.4 mm? -108.45 116.52 32.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 1' ' ' MET . 23.6 tt0 -86.39 98.21 10.87 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.253 0.549 . . . . 0.0 109.69 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.46 161.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.651 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -104.32 170.22 8.02 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.964 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -69.85 -25.96 63.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.482 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -80.82 -1.43 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.07 163.7 15.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 39.4 p -106.33 152.32 23.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.64 0.257 . . . . 0.0 110.905 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.662 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.8 mm -58.28 -38.18 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.042 0.449 . . . . 0.0 110.971 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.876 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 1.1 p-10 -62.5 -38.42 89.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.2 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.45 -37.41 65.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.96 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 30' ' ' ILE . 82.7 t -61.25 -42.08 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.512 ' HE2' ' HG3' ' B' ' 41' ' ' GLN . 84.7 mttt -53.84 -40.46 66.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 110.597 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -66.93 -38.99 87.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.517 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -73.52 -18.53 61.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 26' ' ' VAL . 77.5 mt -81.36 -41.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -62.98 -33.19 74.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.777 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.35 -33.99 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.758 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -107.88 -57.37 2.11 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.466 ' OE1' ' HA ' ' B' ' 34' ' ' GLU . 9.8 tp10 -86.5 -34.14 20.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.262 -175.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.5 18.17 29.01 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.902 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 79.0 mt -82.63 114.75 54.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.469 0.175 . . . . 0.0 110.729 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 10.1 Cg_endo -55.49 137.87 78.85 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.729 2.286 . . . . 0.0 111.897 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.6 Cg_exo -61.55 -26.61 80.88 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.949 2.433 . . . . 0.0 113.154 -175.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -86.23 -0.86 56.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.902 0.382 . . . . 0.0 111.264 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -114.85 8.84 16.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.496 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.635 ' HB2' HD11 ' B' ' 69' ' ' LEU . 9.9 pt20 -133.24 150.08 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.444 -0.503 . . . . 0.0 112.148 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -135.69 136.48 40.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.349 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 6.6 mp -91.97 128.51 37.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -122.45 114.61 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.762 0.315 . . . . 0.0 110.497 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 39.8 t80 -110.85 110.19 20.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 18.47 5.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.918 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.84 -8.69 43.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.023 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.38 127.36 32.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.251 0.548 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.427 ' HG2' ' HG2' ' B' ' 51' ' ' GLU . 18.8 tt0 -69.96 113.35 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.385 176.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 43.5 mt -107.02 94.23 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.427 ' HG2' ' HG2' ' B' ' 49' ' ' GLN . 6.1 mm-40 -92.59 153.26 19.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.296 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.876 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 1.8 p-10 -71.54 165.82 23.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.157 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.24 -27.62 12.33 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -123.36 168.92 11.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 111.457 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 55.5 p -85.09 166.06 16.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.126 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mp -69.9 -27.34 64.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 175.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -60.27 -40.48 90.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.24 -41.82 93.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -79.77 -1.36 38.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 61.09 39.91 15.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.291 0.567 . . . . 0.0 111.399 177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.59 125.48 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -105.53 174.03 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.611 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 10.9 ptmm? -72.54 156.11 39.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.993 0.425 . . . . 0.0 111.632 -177.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 64.93 22.16 12.43 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.059 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.5 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 12.3 p -82.89 144.17 30.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.797 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.2 m -97.14 102.09 13.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.22 0.533 . . . . 0.0 110.838 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' B' ' 45' ' ' PHE . 6.8 mp -92.9 141.87 27.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.434 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -104.97 119.99 40.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' B' ' 41' ' ' GLN . 31.5 tp -90.54 104.05 16.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.126 0.489 . . . . 0.0 110.414 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.576 ' HA ' HD21 ' B' ' 8' ' ' LEU . 58.2 t -106.41 128.23 61.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.842 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.561 ' H ' HD11 ' B' ' 8' ' ' LEU . 21.4 mt -73.16 160.02 32.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.297 -176.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -97.32 -2.29 42.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.22 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 18.2 tp 57.87 22.01 8.2 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.319 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -121.39 98.45 5.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.069 0.461 . . . . 0.0 110.847 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.03 39.49 0.68 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.848 0 CA-C-O 118.94 -0.922 . . . . 0.0 111.382 -176.273 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.09 24.23 14.35 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.319 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 68.83 108.87 0.05 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.813 0.695 . . . . 0.0 110.895 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt 70.67 108.34 0.06 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.277 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m -127.27 119.26 25.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.874 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -79.41 150.79 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -81.51 142.79 32.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.265 0.555 . . . . 0.0 111.404 -171.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -97.18 137.01 36.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.823 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -138.79 143.95 14.82 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.53 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.748 HG13 ' HG2' ' A' ' 30' ' ' LYS . 1.7 mp -108.2 110.18 31.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 173.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.628 HG21 HD12 ' A' ' 25' ' ' ILE . 2.8 p -67.4 135.93 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.069 0.462 . . . . 0.0 111.199 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.518 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 16.3 mm100 -100.83 -12.87 18.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.041 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -121.63 145.4 48.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.855 0.359 . . . . 0.0 111.213 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.72 116.99 21.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.692 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HB3' HG12 ' A' ' 25' ' ' ILE . 41.3 t80 -112.0 121.27 44.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -102.1 100.49 10.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.408 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 125.8 25.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.593 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -102.06 -29.63 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.405 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 m -96.17 148.46 22.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.001 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.22 -12.63 60.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.099 0.476 . . . . 0.0 110.243 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.04 -33.43 74.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.752 172.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 39.7 mt-10 -85.98 173.7 9.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.307 -174.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 52' ' ' LYS . 24.7 tp -129.85 123.71 31.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.816 0.341 . . . . 0.0 111.222 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 14.5 m -79.05 105.45 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.628 HD12 HG21 ' A' ' 11' ' ' VAL . 16.7 pt -123.16 155.32 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.269 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -106.34 152.89 22.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.205 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.6 t -64.64 114.98 4.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.22 7.43 26.66 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.42 -176.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' HG12 ' A' ' 11' ' ' VAL . 63.2 m-20 -86.37 130.84 34.37 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.561 -0.376 . . . . 0.0 110.017 173.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.748 ' HG2' HG13 ' A' ' 10' ' ' ILE . 49.0 mtmt -85.91 126.98 34.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.999 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.915 HG12 HD22 ' A' ' 47' ' ' LEU . 33.5 m -128.07 146.08 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.04 0.448 . . . . 0.0 111.738 -174.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -92.65 121.95 34.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.455 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.9 mt -79.99 112.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -92.52 -76.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.35 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.656 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 3.7 m-20 -82.04 101.98 10.69 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 3.1 p30 -116.02 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.59 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -68.61 -29.6 68.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.134 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -72.29 -23.78 61.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.868 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.536 ' HB3' ' O ' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -150.7 114.84 5.07 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -73.06 -22.17 60.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.387 0.613 . . . . 0.0 110.636 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.603 ' HA ' HD21 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -88.12 -56.43 3.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.969 -175.772 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 39' ' ' SER . 50.3 m95 -117.62 125.59 51.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.607 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.412 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 43.0 m0 -105.01 146.37 29.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.656 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 4.4 mtm -91.36 105.24 17.63 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.649 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 74.6 m -102.83 141.52 35.5 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.311 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.553 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 36.9 tt0 -115.52 119.5 36.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.558 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.915 HD22 HG12 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.41 123.66 17.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.958 -175.663 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.75 -41.55 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.237 0.541 . . . . 0.0 111.245 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.42 -38.16 17.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.14 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.8 m -93.8 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.99 5.97 65.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.47 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.874 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 76.5 mttt -70.73 126.74 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 85.1 p -125.04 125.14 43.37 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.496 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.69 -178.47 39.26 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.702 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' A' ' 42' ' ' TRP . 4.4 mm? -84.28 126.02 32.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 111.36 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 25' ' ' ILE . 31.6 m -136.34 151.18 72.73 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.804 174.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.71 133.04 37.54 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.514 2.143 . . . . 0.0 112.056 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.82 70.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.951 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.402 HE21 HG22 ' B' ' 70' ' ' VAL . 16.8 pt20 -78.71 9.96 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.098 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.404 ' HZ ' ' HB ' ' B' ' 44' ' ' ILE . 3.4 m-30 -105.9 -15.88 14.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 0.0 110.116 176.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.568 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 49.8 mm -95.98 133.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.825 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HB2' ' HG2' ' A' ' 12' ' ' GLN . 1.4 tp10 -104.91 90.48 3.6 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 171.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.64 ' HD2' ' HE2' ' A' ' 68' ' ' LYS . 18.5 Cg_exo -66.71 137.87 47.24 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.434 2.09 . . . . 0.0 111.767 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m -94.35 106.69 18.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.719 0.771 . . . . 0.0 110.702 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 68.4 mtp180 -123.44 6.03 8.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.765 176.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 25.9 t70 67.47 100.22 0.05 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.07 -173.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 68.13 77.0 0.25 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.188 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.64 ' HE2' ' HD2' ' A' ' 63' ' ' PRO . 27.4 ttpp -84.28 103.3 13.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.154 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -98.82 132.98 43.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.538 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 t -158.88 -167.49 2.13 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -175.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.412 176.401 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.482 ' CB ' ' HB3' ' B' ' 63' ' ' LYS . 14.2 ptt? . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -89.52 126.33 35.55 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.419 ' HB ' HD13 ' B' ' 67' ' ' LEU . 40.2 pt -116.12 135.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.08 93.85 5.69 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.821 HG13 ' HB ' ' B' ' 13' ' ' ILE . 2.8 p -93.47 110.91 23.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.435 0.636 . . . . 0.0 110.378 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.6 123.26 31.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.495 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.567 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 52.0 p -74.68 175.22 8.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.704 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.603 HD21 ' HA ' ' A' ' 41' ' ' ASP . 4.8 tt -64.43 -20.71 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.472 . . . . 0.0 110.536 -178.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.9 p -85.32 -8.59 58.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.441 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 11.8 58.32 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.236 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -84.8 130.21 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 0.0 110.592 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.1 m -85.1 112.13 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.821 ' HB ' HG13 ' B' ' 5' ' ' VAL . 48.3 mm -99.97 104.85 16.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.792 174.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 27.0 m -79.35 111.52 15.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' B' ' 15' ' ' LEU . 13.3 tp -120.4 120.95 37.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.816 0.341 . . . . 0.0 111.124 -174.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -87.09 102.44 14.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.96 160.82 23.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -174.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.611 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 43.3 mt-10 -82.39 147.2 28.93 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -67.81 -23.74 65.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -102.82 13.12 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.611 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 21.0 t0 -78.14 147.81 34.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.755 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.8 p -78.65 150.36 32.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 40.3 mm -58.86 -33.82 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.234 0.54 . . . . 0.0 109.548 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.78 -42.69 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.868 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.9 t30 -73.29 -31.61 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.36 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 22' ' ' THR . 86.7 t -66.11 -43.38 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 172.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 92.6 mttt -55.93 -43.84 77.79 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 173.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -69.59 -27.89 65.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.105 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.9 mttp -67.45 -41.06 85.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.074 0.464 . . . . 0.0 110.129 173.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.14 -37.87 77.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.097 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.574 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 11.8 tt0 -68.59 -35.1 76.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.07 0.462 . . . . 0.0 110.397 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.01 -37.39 85.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -83.37 -61.22 1.9 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.81 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -98.54 -30.07 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 49.72 2.5 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.564 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.574 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 59.2 mt -108.32 126.72 28.97 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.4 Cg_exo -59.35 131.44 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.904 2.402 . . . . 0.0 112.576 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.5 Cg_exo -61.58 -31.05 86.89 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.165 2.577 . . . . 0.0 112.727 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.45 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 3.6 m-20 -63.84 -34.57 78.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.449 0.642 . . . . 0.0 110.191 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 32.0 tt0 -85.93 -4.19 59.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.631 -174.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.448 ' HG2' HD11 ' B' ' 69' ' ' LEU . 45.0 mt-30 -102.04 116.63 33.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -120.75 115.95 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 166.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.3 mm? -92.23 134.88 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.858 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.421 ' N ' HD12 ' B' ' 44' ' ' ILE . 3.9 mp -114.84 125.13 72.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.909 0.385 . . . . 0.0 110.039 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 52.3 t80 -125.23 102.36 7.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.319 176.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.62 34.29 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.76 -8.61 58.15 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -89.88 111.56 22.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -80.09 112.63 17.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 21.1 mt -92.55 119.9 32.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.73 -172.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -117.5 162.51 17.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.222 0.534 . . . . 0.0 110.443 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.4 161.35 22.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.847 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.05 -37.27 3.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.676 -174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.531 ' HD2' ' OD2' ' B' ' 58' ' ' ASP . 14.5 mmt180 -102.08 171.48 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.765 0.317 . . . . 0.0 110.952 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.755 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 57.8 p -106.82 172.81 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.5 mt -68.38 -31.78 71.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.289 0.566 . . . . 0.0 110.039 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -69.16 -28.87 66.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.541 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.531 ' OD2' ' HD2' ' B' ' 54' ' ' ARG . 9.2 t70 -62.09 -46.76 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.423 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -85.03 0.14 52.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.169 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.8 m120 62.93 58.04 1.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.547 0.529 . . . . 0.0 110.805 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -95.89 129.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -92.83 -170.59 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.733 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.482 ' HB3' ' CB ' ' B' ' 1' ' ' MET . 18.0 pttm -93.81 154.2 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.28 12.36 8.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.824 0.703 . . . . 0.0 110.51 -175.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 75.8 m -68.83 139.57 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.127 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -97.26 113.44 25.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.494 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.419 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.3 mp -104.71 156.68 17.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.837 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -126.22 129.04 48.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.821 0.343 . . . . 0.0 110.54 174.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.567 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 53.4 tp -93.79 105.68 17.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.511 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.402 HG22 HE21 ' A' ' 59' ' ' GLN . 29.9 t -105.14 131.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 175.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.593 ' H ' HD12 ' B' ' 8' ' ' LEU . 18.9 mt -81.04 144.54 31.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.722 0.772 . . . . 0.0 112.542 -169.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 34.8 ttm180 -98.79 104.7 16.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.365 -1.289 . . . . 0.0 107.927 170.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt -55.05 100.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.591 0.557 . . . . 0.0 111.12 -176.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -153.78 162.59 41.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.601 -174.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.14 -86.9 1.49 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.076 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.516 -1.158 . . . . 0.0 111.973 -179.641 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.86 119.94 2.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.706 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -87.79 19.29 3.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.376 177.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.3 tptm 59.61 81.17 0.18 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.751 -172.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t -92.28 174.78 7.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.94 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -89.82 35.5 0.84 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.313 -174.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 94.9 mttt 64.39 133.28 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.145 0 O-C-N 123.892 0.745 . . . . 0.0 111.971 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -110.93 137.39 48.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.958 0.409 . . . . 0.0 110.543 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.63 152.43 21.63 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.904 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -110.95 111.52 36.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 2.6 p -72.89 124.98 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 0.0 111.091 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -86.02 -43.4 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.967 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 77.2 m-85 -102.44 -177.46 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 -176.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -115.83 128.07 55.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.576 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 66.3 t80 -127.72 136.28 51.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.643 0.258 . . . . 0.0 110.675 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp -103.41 141.76 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.02 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.55 112.23 24.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.81 -32.77 12.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.201 0.524 . . . . 0.0 109.763 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -86.55 166.46 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.912 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.31 52.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.31 0.576 . . . . 0.0 109.783 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.51 -12.46 42.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.55 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -90.96 163.44 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.551 0.215 . . . . 0.0 110.54 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.683 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 54.8 tp -124.13 145.4 49.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 111.127 -177.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -92.0 116.94 29.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.4 pt -122.47 145.22 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.781 0.324 . . . . 0.0 111.222 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -107.54 139.47 42.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.535 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 p -59.67 125.2 22.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.045 0.45 . . . . 0.0 111.426 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.98 1.49 63.08 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.671 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.402 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.4 t70 -81.82 152.57 26.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -88.96 120.62 30.54 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.738 HG21 HD12 ' A' ' 61' ' ' ILE . 34.1 m -125.21 149.66 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.992 0.425 . . . . 0.0 111.6 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 47.1 m-85 -89.84 151.43 21.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.236 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.4 mt -102.05 95.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.579 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 93.7 mt -63.8 -52.5 59.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.695 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.474 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 15.9 t70 -141.3 139.74 33.7 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.218 0.533 . . . . 0.0 111.384 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -134.04 24.23 3.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.84 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -126.69 -39.84 1.96 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 69.8 mmtt -59.03 -40.92 86.49 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.434 0.635 . . . . 0.0 110.18 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 m -146.01 148.14 32.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.364 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -93.27 -25.12 17.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 0.0 110.147 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.901 ' HA ' HD13 ' B' ' 8' ' ' LEU . 5.2 m-20 -78.66 -36.91 43.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.72 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.471 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 70.3 m95 -124.17 126.43 46.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -112.97 158.6 20.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.309 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.579 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -101.97 125.35 48.63 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.52 ' SG ' HD23 ' A' ' 23' ' ' LEU . 27.9 p -123.41 158.08 31.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.801 0.334 . . . . 0.0 110.957 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 54.3 tt0 -133.19 123.72 26.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.618 HD23 HG12 ' A' ' 31' ' ' VAL . 96.9 mt -66.79 126.02 27.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.5 t -76.02 -23.38 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.516 0.674 . . . . 0.0 109.49 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.06 -57.96 3.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 t -85.68 -45.61 11.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.558 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.2 -16.79 32.27 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.18 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.73 155.33 40.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.74 0.305 . . . . 0.0 110.815 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.1 m -128.69 162.99 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 -175.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.683 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 172.89 178.14 42.71 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.136 176.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 25.5 tp -92.52 133.14 36.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.894 0.478 . . . . 0.0 110.639 -177.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG11 HD13 ' A' ' 25' ' ' ILE . 29.6 m -141.11 159.62 60.94 Favored Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.49 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HB3' HG21 ' B' ' 70' ' ' VAL . 24.3 Cg_exo -64.89 145.34 85.64 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.814 2.343 . . . . 0.0 112.196 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB3' HD11 ' B' ' 8' ' ' LEU . . . -62.66 -36.13 81.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.487 HE22 HG22 ' B' ' 70' ' ' VAL . 20.4 mp0 -62.66 -18.84 63.09 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.026 0.441 . . . . 0.0 111.112 -178.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 3.6 m-85 -79.83 -27.5 40.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.875 -176.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.738 HD12 HG21 ' A' ' 31' ' ' VAL . 45.0 mm -106.61 107.73 23.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.779 0.323 . . . . 0.0 111.02 -176.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -93.11 103.71 10.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 173.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.12 116.1 3.26 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.486 2.124 . . . . 0.0 112.346 -176.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.5 p -97.34 92.7 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 122.293 1.044 . . . . 0.0 110.083 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.563 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 12.2 ptm180 -164.0 -50.38 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.06 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.563 ' H ' ' HG3' ' A' ' 65' ' ' ARG . 5.9 m-20 -148.66 -172.73 4.16 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -79.62 123.87 28.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 171.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -64.76 118.38 8.88 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.36 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -86.11 33.21 0.61 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.662 -172.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -148.81 124.68 10.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.654 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--O 1.245 0.841 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.752 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.513 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 21.5 ptt? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.6 mt-30 -76.3 131.86 39.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 170.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.524 ' HB ' HD23 ' B' ' 67' ' ' LEU . 36.9 pt -121.11 145.84 27.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -95.42 95.48 8.47 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.1 t -79.6 93.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' B' ' 7' ' ' THR . 12.3 tmtt? -98.84 105.13 17.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.235 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.599 HG22 HD23 ' B' ' 69' ' ' LEU . 70.1 p -66.8 165.91 14.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.598 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 41' ' ' ASP . 8.4 tt -57.53 -53.25 60.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.2 p -68.91 -45.79 70.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.17 58.59 0.01 OUTLIER Glycine 0 C--O 1.228 -0.228 0 C-N-CA 119.19 -1.481 . . . . 0.0 114.47 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.4 mttp -121.75 114.78 21.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 169.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -96.8 93.43 6.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.126 0.488 . . . . 0.0 109.803 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.61 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 40.6 mt -94.21 107.58 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.783 -175.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -74.35 111.72 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -117.45 131.48 56.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.689 -176.251 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -89.56 106.71 18.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -134.86 155.37 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.386 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 43.0 mt-10 -93.95 172.14 8.42 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.4 -26.06 62.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -86.77 1.89 50.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.917 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -71.01 143.32 50.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.53 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 75.0 p -90.08 152.73 21.01 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.649 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 43.3 mm -60.16 -30.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -62.43 -48.03 81.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.939 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.14 -40.97 95.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.588 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 22' ' ' THR . 22.6 t -63.16 -41.57 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.125 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 90.3 mttt -57.73 -43.71 85.52 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -63.66 -39.53 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.761 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 96.9 mttt -64.51 -40.4 95.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.501 HD13 HG11 ' B' ' 5' ' ' VAL . 73.5 mt -71.81 -31.39 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.231 0.539 . . . . 0.0 110.281 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.495 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.8 tt0 -64.23 -31.74 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.05 175.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.67 -38.36 58.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 74.9 mmtt -68.05 -69.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.941 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -103.05 -12.3 17.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.608 -173.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.77 26.92 36.45 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.713 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.6 mt -87.62 126.99 60.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.661 -0.317 . . . . 0.0 110.195 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.0 Cg_exo -59.98 131.94 42.1 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.114 2.543 . . . . 0.0 112.687 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.466 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 32.9 Cg_exo -61.53 -34.82 84.62 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.349 2.699 . . . . 0.0 113.004 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 -31.48 68.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.229 0.537 . . . . 0.0 110.85 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -79.57 -28.22 41.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -71.84 124.32 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -131.7 107.92 9.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.858 171.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.502 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.5 mp -88.46 145.19 25.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.32 -176.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.442 HG21 ' HZ ' ' A' ' 60' ' ' PHE . 74.1 mt -130.31 123.09 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.755 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -113.88 95.68 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.394 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.96 44.88 25.51 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.967 0.413 . . . . 0.0 112.071 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.24 -19.06 55.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.46 112.7 13.26 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.84 113.59 11.17 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.502 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 60.2 mt -94.02 90.79 6.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.451 . . . . 0.0 110.991 -176.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -84.17 149.57 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.721 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.649 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.5 p30 -69.65 168.82 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.47 -62.83 0.62 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.585 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -76.17 172.32 13.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.642 0.258 . . . . 0.0 110.805 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.8 p -97.01 171.0 8.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.532 HD11 HG21 ' B' ' 26' ' ' VAL . 7.5 mp -68.36 -26.15 65.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.096 0.474 . . . . 0.0 109.915 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -67.07 -35.92 80.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.209 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.56 -20.58 65.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.055 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -112.13 5.88 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 62.11 40.44 11.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.677 173.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -77.81 133.47 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -92.62 172.52 8.31 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.567 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.513 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 22.7 mmtm -71.9 144.57 48.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.201 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 57.91 32.55 22.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.516 0.674 . . . . 0.0 111.129 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -81.96 159.95 23.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -104.6 111.01 23.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.289 0.566 . . . . 0.0 111.008 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.524 HD23 ' HB ' ' B' ' 3' ' ' ILE . 2.9 mm? -96.32 115.41 27.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.506 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 89.5 m-70 -82.1 111.6 18.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.599 HD23 HG22 ' B' ' 7' ' ' THR . 54.8 tp -89.03 112.24 23.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.487 HG22 HE22 ' A' ' 59' ' ' GLN . 44.8 t -104.34 133.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.391 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -89.48 133.85 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.963 0.411 . . . . 0.0 111.066 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -75.2 -23.66 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.368 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.2 mt 61.54 31.44 18.88 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.328 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 71.45 -69.18 0.19 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.733 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.5 -56.63 5.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.798 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.911 -0.939 . . . . 0.0 111.195 177.74 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -88.33 132.22 34.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.362 0.601 . . . . 0.0 112.201 -169.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -133.59 164.05 24.36 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.012 175.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -119.48 130.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 117.067 0.434 . . . . 0.0 109.943 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.655 HG21 ' HB ' ' A' ' 25' ' ' ILE . 1.9 p -81.69 121.64 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -93.49 -41.36 9.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -96.47 133.0 41.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.269 0.557 . . . . 0.0 111.782 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.634 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 14.4 t70 -80.42 97.36 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.827 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.492 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 90.2 t80 -113.33 118.09 33.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.324 -173.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.571 ' HA ' HG23 ' A' ' 24' ' ' THR . 26.5 mmt -90.13 121.23 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.869 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -93.89 131.95 38.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.46 -28.51 16.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.614 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -97.7 151.15 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.089 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.69 -27.0 63.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.244 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.92 -17.96 61.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.306 0.574 . . . . 0.0 110.142 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.654 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 51.4 mt-10 -95.42 151.58 19.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB3' HG13 ' A' ' 56' ' ' VAL . 57.9 tp -106.03 123.28 47.74 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.615 -177.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.571 HG23 ' HA ' ' A' ' 16' ' ' MET . 91.3 m -74.43 108.5 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 173.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.655 ' HB ' HG21 ' A' ' 11' ' ' VAL . 22.4 pt -109.92 115.18 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.41 0.624 . . . . 0.0 111.023 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -85.24 129.37 34.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.762 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.443 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 43.0 t -57.98 120.9 9.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.251 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.67 -6.65 35.79 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.566 -0.825 . . . . 0.0 113.329 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.55 -169.24 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.291 0.546 . . . . 0.0 110.336 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 48' ' ' VAL . 44.2 mmtm -117.65 139.35 51.13 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.16 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.757 HG21 HD12 ' A' ' 61' ' ' ILE . 23.5 m -131.59 147.69 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 110.864 177.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.6 ' CE2' HG22 ' A' ' 48' ' ' VAL . 46.4 m-85 -100.59 130.53 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.972 174.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -82.6 106.28 13.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.648 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -78.04 -64.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.616 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.664 ' H ' ' HB2' ' A' ' 44' ' ' MET . 6.0 t0 -130.38 136.43 49.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.727 175.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -134.75 9.22 3.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.497 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.63 -13.27 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.444 -176.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -62.85 -41.83 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 109.326 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -138.21 158.81 43.56 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.122 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -95.65 -42.53 8.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.533 ' HA ' HD22 ' B' ' 8' ' ' LEU . 5.1 m-20 -77.93 -49.72 13.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.965 0.412 . . . . 0.0 111.436 -175.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -111.1 132.81 53.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.389 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -113.57 164.55 13.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.664 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 70.3 mmm -95.31 110.85 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.574 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.414 ' SG ' HG13 ' A' ' 61' ' ' ILE . 98.1 m -121.56 152.33 39.35 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -127.69 125.27 39.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.834 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 31' ' ' VAL . 68.2 mt -63.84 125.44 24.39 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.6 HG22 ' CE2' ' A' ' 32' ' ' TYR . 77.8 t -58.0 -44.14 86.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.796 -176.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -87.8 -49.86 6.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.407 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.31 -30.2 67.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.525 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.21 88.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.695 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -82.49 132.41 35.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -112.53 148.9 33.52 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.83 -178.5 48.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.848 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.23 134.52 33.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 23' ' ' LEU . 26.7 m -139.5 156.65 71.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.971 175.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HB3' HG21 ' B' ' 70' ' ' VAL . 29.7 Cg_exo -62.95 133.55 42.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.545 2.163 . . . . 0.0 112.172 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.34 -48.7 65.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.643 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 5.3 pt20 -84.26 20.71 1.56 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -104.58 -13.11 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.757 HD12 HG21 ' A' ' 31' ' ' VAL . 51.0 mm -115.25 124.36 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.261 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 39.0 tt0 -116.41 114.75 40.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.526 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 37.7 Cg_exo -59.9 135.56 64.0 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 -177.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.237 0.447 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.094 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.469 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 19.7 ptt? . . . . . 0 CA--C 1.5 -0.953 0 CA-C-O 121.761 0.791 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 77.0 mt-30 -119.06 122.14 41.44 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.623 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.2 pt -117.35 140.51 39.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.687 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.38 93.79 9.66 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.723 HG13 HG13 ' B' ' 13' ' ' ILE . 2.7 p -87.77 106.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.171 0.986 . . . . 0.0 109.681 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 48.7 tttp -98.39 108.19 20.83 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.238 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.618 HG22 HD23 ' B' ' 69' ' ' LEU . 39.1 p -67.85 155.84 38.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.643 ' HA ' ' NE2' ' A' ' 59' ' ' GLN . 6.4 tt -65.66 -22.86 66.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.023 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -74.9 -11.43 60.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 111.575 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.26 5.07 43.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.769 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.423 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 21.5 tptp -85.85 93.5 8.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 4.0 m -88.55 107.43 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.098 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.723 HG13 HG13 ' B' ' 5' ' ' VAL . 12.6 pt -113.89 142.87 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.053 0.454 . . . . 0.0 111.349 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -91.44 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.901 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.767 HD12 HG12 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -101.45 125.56 48.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -173.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' B' ' 1' ' ' MET . 13.0 tp10 -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.699 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.767 HG12 HD12 ' B' ' 15' ' ' LEU . 0.5 OUTLIER -143.8 155.22 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.635 -176.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.67 145.79 32.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.649 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -59.28 -23.46 62.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -103.78 11.14 36.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.543 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.442 ' HB2' HG23 ' B' ' 17' ' ' VAL . 2.4 m-20 -75.01 146.62 41.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.657 0.265 . . . . 0.0 110.494 177.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 36.4 p -77.96 154.22 31.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.094 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' B' ' 50' ' ' LEU . 49.5 mm -61.22 -30.74 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.28 -51.05 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.608 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.6 t30 -68.91 -32.97 72.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.547 ' HA ' ' HD2' ' B' ' 29' ' ' LYS . 73.3 t -59.46 -44.18 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.332 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 99.1 mttt -63.35 -36.05 82.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.838 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -62.11 -41.03 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.978 0.418 . . . . 0.0 110.357 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.573 ' HE3' ' HB ' ' B' ' 17' ' ' VAL . 53.0 mttm -63.64 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.406 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.68 -33.81 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.054 0.454 . . . . 0.0 110.381 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.462 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 63.9 tt0 -66.96 -26.51 66.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.18 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.89 -42.67 23.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.205 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' B' ' 33' ' ' LYS . 14.6 tppt? -65.81 -66.96 0.48 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -102.48 -31.69 10.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.095 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.94 65.5 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.392 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.452 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 32.4 mt -123.61 133.46 24.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 10.3 Cg_endo -55.71 124.63 16.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.96 2.44 . . . . 0.0 112.611 176.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.9 Cg_exo -55.51 -42.76 64.75 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.616 2.877 . . . . 0.0 113.957 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.02 -36.82 80.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.337 0.589 . . . . 0.0 110.603 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -72.24 -19.99 61.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.265 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.484 ' HB3' HD11 ' B' ' 69' ' ' LEU . 48.9 mt-30 -90.01 119.47 30.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.977 -174.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 79.8 mtt180 -115.26 108.49 16.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.046 172.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.553 ' HG ' HD13 ' B' ' 69' ' ' LEU . 6.0 mp -86.71 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.85 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.0 mt -119.08 119.79 61.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -118.82 116.79 27.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.219 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 20.06 10.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.957 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.634 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 97.94 -2.13 59.85 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -97.16 118.21 33.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.386 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.504 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 28.3 tt0 -77.77 127.65 32.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.494 ' HB3' HG13 ' B' ' 23' ' ' ILE . 26.0 mt -90.49 130.49 36.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.884 -172.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -83.24 149.54 26.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.79 -43.79 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.565 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.58 -0.6 80.2 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 121.093 -0.575 . . . . 0.0 114.062 -172.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.414 ' HD2' ' CZ ' ' B' ' 59' ' ' TYR . 64.4 mtt180 -105.95 159.72 15.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.208 0.504 . . . . 0.0 110.279 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.0 p -97.78 178.26 5.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.81 -27.39 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.037 0.446 . . . . 0.0 110.189 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -77.3 -31.56 54.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.049 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.98 -27.47 69.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.356 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.414 ' CZ ' ' HD2' ' B' ' 54' ' ' ARG . 94.3 m-85 -107.32 4.22 26.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.783 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 t30 56.04 68.26 0.89 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.626 0.726 . . . . 0.0 110.901 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -111.78 112.5 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.286 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -78.44 159.56 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.945 0.403 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.469 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 9.5 ptpp? -68.39 161.45 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 59.53 32.49 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.459 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -102.61 165.35 11.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.873 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -107.42 110.28 22.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.108 0.48 . . . . 0.0 110.884 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.76 138.9 37.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.648 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -96.05 123.83 39.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.618 HD23 HG22 ' B' ' 7' ' ' THR . 37.2 tp -102.92 101.62 11.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.219 0.533 . . . . 0.0 110.332 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.525 HG21 ' HB3' ' A' ' 57' ' ' PRO . 46.4 t -98.67 127.05 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.587 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.42 151.86 22.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -71.64 176.11 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.918 174.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 121.542 0.687 . . . . 0.0 109.601 175.596 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 52.0 mttp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.664 0.269 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.43 150.07 26.27 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 153.3 24.49 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.606 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.611 HG12 HG22 ' A' ' 64' ' ' VAL . 42.6 mm -109.59 129.59 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 p -84.89 114.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.154 0.502 . . . . 0.0 110.163 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -84.87 -45.9 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.055 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.551 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 80.2 m-85 -109.28 135.09 50.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.304 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.97 149.7 49.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.075 -176.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' HB3' HG12 ' A' ' 25' ' ' ILE . 64.3 t80 -139.47 118.38 12.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.664 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.705 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.3 ptp -101.4 131.14 47.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.066 0.46 . . . . 0.0 109.989 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -97.96 146.06 25.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.284 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -103.58 -25.36 13.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -109.17 144.9 36.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -74.01 -8.54 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.417 0.627 . . . . 0.0 110.21 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.89 -26.96 64.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.412 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 44.0 mt-10 -95.51 148.72 22.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.003 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 44.4 tp -103.23 111.18 23.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 111.128 -173.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.705 HG23 ' HA ' ' A' ' 16' ' ' MET . 29.5 m -68.04 111.52 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.457 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.6 pt -120.75 146.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.25 -175.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HB2' ' NZ ' ' A' ' 26' ' ' LYS . 8.9 mtmp? -114.01 145.88 40.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 p -59.82 121.98 13.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.29 -14.88 27.94 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.666 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -70.44 153.84 42.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.293 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.744 ' HB2' ' HB ' ' A' ' 48' ' ' VAL . 41.8 mmtm -100.81 130.14 46.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.43 HG12 HD23 ' A' ' 47' ' ' LEU . 23.2 m -131.25 148.43 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.201 0.524 . . . . 0.0 112.141 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD2' HG22 ' A' ' 48' ' ' VAL . 7.4 m-85 -98.49 128.1 44.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.43 170.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 51.2 mt -83.34 95.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 84.0 mt -66.2 -58.68 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.836 -176.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.7 m-20 -126.01 99.84 6.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.743 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.415 ' HB3' HG21 ' A' ' 33' ' ' ILE . 7.7 p-10 -91.22 -13.06 33.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.974 174.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.99 9.54 42.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.836 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 23.7 ttpp -78.2 -49.21 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.473 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' TRP . 21.5 m -145.85 178.44 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -175.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.29 -38.93 14.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.01 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HB3' HD21 ' B' ' 8' ' ' LEU . 2.6 p30 -108.69 -36.13 6.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.798 -172.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.443 ' HB2' HD11 ' B' ' 73' ' ' LEU . 83.1 m95 -110.82 122.55 48.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -113.33 166.81 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.516 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 82.6 mmm -96.06 126.0 40.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 64.7 m -131.14 146.03 52.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.218 0.532 . . . . 0.0 111.495 177.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.404 ' HB2' HD11 ' A' ' 34' ' ' LEU . 59.2 tt0 -121.65 129.2 52.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.619 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' HG ' HD21 ' A' ' 23' ' ' LEU . 93.9 mt -63.58 120.86 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.529 0.204 . . . . 0.0 111.009 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.744 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 81.0 t -67.03 -31.06 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 0.0 109.951 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.16 3.19 31.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.774 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.5 t -149.93 -62.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.98 -13.26 9.14 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.737 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.52 139.94 57.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -121.32 161.32 22.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.556 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 179.99 177.7 48.15 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.223 -0.989 . . . . 0.0 112.815 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.47 131.85 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.64 0.257 . . . . 0.0 110.794 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.432 HG21 ' SG ' ' A' ' 45' ' ' CYS . 34.9 m -136.89 151.5 72.4 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.54 128.02 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.921 2.414 . . . . 0.0 111.962 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.44 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.443 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.761 ' HB3' ' HB3' ' B' ' 8' ' ' LEU . 7.0 pt20 -66.01 -8.38 22.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.12 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 13' ' ' TYR . 22.1 m-30 -113.63 -4.32 13.48 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.982 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -117.54 132.26 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -127.29 119.36 21.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.96 134.03 57.61 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.898 2.399 . . . . 0.0 112.634 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.611 HG22 HG12 ' A' ' 10' ' ' ILE . 48.6 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.209 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.484 ' HG3' ' HA ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.069 0.461 . . . . 0.0 110.654 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 77.0 mt-30 -83.65 142.13 31.01 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 177.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.414 HG23 ' SD ' ' B' ' 1' ' ' MET . 26.8 pt -123.66 139.71 49.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 167.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' B' ' 66' ' ' THR . 87.3 m-85 -96.93 106.59 18.95 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.883 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' B' ' 12' ' ' THR . 59.9 t -85.71 101.27 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.618 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -107.71 119.81 40.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p -79.86 167.97 19.86 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.761 ' HB3' ' HB3' ' A' ' 59' ' ' GLN . 1.8 pp -75.78 -5.64 46.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.901 0.382 . . . . 0.0 111.333 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 p -89.36 -40.13 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.384 . . . . 0.0 110.315 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.18 -15.55 1.7 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.817 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.29 107.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.706 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 4.6 m -119.85 105.16 10.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.248 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.425 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.4 pt -106.77 138.41 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.928 0.394 . . . . 0.0 111.232 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -86.57 118.66 26.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.391 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' B' ' 15' ' ' LEU . 15.1 tp -116.65 119.29 35.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.698 0.285 . . . . 0.0 111.131 -177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 tp10 -79.49 101.25 8.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.235 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.17 -157.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 5.6 tp10 -151.94 153.13 33.49 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.144 174.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.643 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 6.8 p -65.48 -24.25 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.38 13.85 12.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -101.26 171.08 7.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 38.8 p -102.4 148.08 25.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.67 0.271 . . . . 0.0 111.186 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -34.78 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.04 -45.53 86.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.161 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.56 -36.96 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 88.7 t -60.89 -42.21 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.404 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 93.0 mttt -54.73 -44.93 73.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.442 . . . . 0.0 110.807 176.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -64.37 -36.41 84.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.7 mtpp -69.82 -29.34 66.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.233 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.3 mt -72.77 -38.84 58.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.411 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 38.2 tt0 -62.21 -35.84 80.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.523 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 27.9 t70 -58.79 -28.92 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.942 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -80.69 -67.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.739 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.02 17.01 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.31 43.14 98.86 Favored Glycine 0 C--N 1.324 -0.13 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.137 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.411 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 23.7 mt -94.45 119.68 66.09 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.51 124.77 17.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.124 2.549 . . . . 0.0 112.882 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.404 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.6 Cg_exo -52.13 -39.33 71.07 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.609 2.873 . . . . 0.0 113.433 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.42 -17.14 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 111.176 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.416 ' HB3' HE21 ' B' ' 40' ' ' GLN . 3.4 tt0 -95.5 -5.25 43.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.601 -176.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -103.28 139.1 39.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -175.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' B' ' 49' ' ' GLN . 15.8 tpp180 -129.02 103.81 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.514 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.44 132.61 34.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.282 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.61 122.83 68.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.998 0.427 . . . . 0.0 110.749 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 88.6 t80 -122.22 116.61 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.203 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 22.95 13.72 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.357 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.478 ' O ' ' HG2' ' A' ' 16' ' ' MET . . . 95.19 -3.81 66.91 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.143 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.586 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.7 ttmm -96.39 125.32 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.789 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.457 ' HB3' ' HD2' ' B' ' 42' ' ' ARG . 45.5 mt-30 -79.25 138.2 37.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.083 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.6 mt -97.82 125.95 42.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.08 166.02 11.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.63 168.99 19.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.068 0.461 . . . . 0.0 111.413 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.96 -47.45 2.94 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.093 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.419 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 9.0 mmm180 -78.55 163.95 25.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 31.9 p -96.03 168.08 10.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.643 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 3.4 mm? -63.59 -40.2 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.588 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.6 m -62.93 -27.47 69.4 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.521 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.52 -34.85 77.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.586 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 94.7 m-85 -91.34 10.61 26.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.147 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m120 66.52 27.04 9.82 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.82 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.427 HD12 HD12 ' B' ' 56' ' ' LEU . 59.0 mt -79.15 138.81 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.902 0.382 . . . . 0.0 110.225 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -104.93 -175.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.664 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.437 ' HG2' ' HG2' ' B' ' 1' ' ' MET . 67.8 mttm -84.84 138.78 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.289 175.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 34.3 mt-10 68.7 25.02 6.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.293 0.568 . . . . 0.0 110.702 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.456 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 13.8 p -86.52 163.14 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.451 HG23 ' HB2' ' B' ' 4' ' ' PHE . 29.0 m -111.1 133.01 53.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.056 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.93 150.23 40.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.327 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -92.63 127.98 38.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.254 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.74 106.87 17.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.203 0.525 . . . . 0.0 110.404 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.84 153.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.32 153.0 17.89 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.544 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.406 ' CG ' ' HB2' ' B' ' 42' ' ' ARG . 40.8 mtm180 -88.21 119.51 28.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.292 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 42' ' ' TRP . 83.9 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.308 0.575 . . . . 0.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HG3' ' HB ' ' A' ' 33' ' ' ILE . 9.3 ptmt . . . . . 0 C--O 1.225 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -91.42 142.54 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.05 144.48 15.05 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.055 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.744 HG12 ' HG2' ' A' ' 30' ' ' LYS . 50.8 mt -110.81 113.24 43.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.406 HG21 ' HB ' ' A' ' 25' ' ' ILE . 1.4 p -68.32 122.47 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.116 0.484 . . . . 0.0 110.344 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.67 -30.57 17.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.038 -173.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.617 ' HB2' ' HD1' ' A' ' 60' ' ' PHE . 70.6 m-85 -127.97 151.69 48.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 -174.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.75 144.7 43.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.04 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.592 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 59.7 t80 -146.22 118.73 8.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.752 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.523 ' HA ' HG23 ' A' ' 24' ' ' THR . 86.8 mtp -85.32 145.9 27.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.757 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.681 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -115.23 149.27 38.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -102.67 -25.87 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.725 0.297 . . . . 0.0 111.003 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 t -129.26 169.28 15.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.548 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -75.23 -15.07 60.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.25 -35.31 79.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.538 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.681 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 36.3 mt-10 -92.41 175.65 6.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.083 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' HG ' ' A' ' 47' ' ' LEU . 66.3 tp -132.09 125.33 31.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.128 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.523 HG23 ' HA ' ' A' ' 16' ' ' MET . 21.8 m -76.88 103.56 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.592 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.0 pt -100.47 147.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.161 -175.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -104.88 138.7 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.763 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -65.16 106.13 1.24 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.82 5.4 27.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.014 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -94.9 173.67 7.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.744 ' HG2' HG12 ' A' ' 10' ' ' ILE . 36.0 mtmm -120.95 140.41 51.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.569 HG12 HD23 ' A' ' 47' ' ' LEU . 35.7 m -132.23 153.21 37.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.82 -178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.441 ' CE2' HG22 ' A' ' 48' ' ' VAL . 46.7 m-85 -97.34 128.54 44.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.669 ' HB ' ' HG3' ' A' ' 7' ' ' LYS . 64.5 mt -85.32 105.57 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 3.5 mm? -66.27 -54.8 20.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.103 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -140.64 135.3 31.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.25 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -105.16 -22.62 13.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.394 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -120.2 3.39 10.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.179 -168.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -61.23 -45.32 95.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.253 0.549 . . . . 0.0 109.911 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 35.0 m -106.3 -89.88 0.43 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.465 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 39' ' ' SER . 76.4 tttt 165.17 -55.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.863 0.727 . . . . 0.0 109.541 175.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.1 -46.63 8.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.767 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -93.73 131.99 38.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.091 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -116.01 164.89 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.577 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 42.7 mtp -99.61 126.43 45.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.444 ' SG ' HG12 ' A' ' 33' ' ' ILE . 84.8 m -138.98 161.48 37.26 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.198 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 42.3 tt0 -132.4 129.13 38.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.154 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 31' ' ' VAL . 95.4 mt -66.95 124.12 22.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.441 HG22 ' CE2' ' A' ' 32' ' ' TYR . 57.7 t -59.15 -50.25 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.364 0.415 . . . . 0.0 111.441 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -82.98 -51.89 7.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -64.85 -28.4 69.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.638 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.18 66.14 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.561 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -116.72 125.29 51.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.627 0.251 . . . . 0.0 110.662 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 18.9 t -109.0 148.41 30.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.246 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.25 -175.57 41.96 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.67 131.59 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 35.9 m -131.15 153.56 81.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 8.4 Cg_exo -73.55 126.53 10.96 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.87 2.38 . . . . 0.0 111.593 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.524 ' HB3' HD21 ' B' ' 8' ' ' LEU . . . -55.61 -27.59 50.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.571 HE22 ' HB3' ' B' ' 68' ' ' HIS . 7.6 pt20 -63.76 -12.1 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.617 ' HD1' ' HB2' ' A' ' 13' ' ' TYR . 44.4 m-85 -104.34 -7.3 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.704 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 33' ' ' ILE . 46.5 mm -105.43 130.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 111.688 -174.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -105.09 107.29 58.52 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.183 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.47 115.13 2.29 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.69 2.26 . . . . 0.0 112.167 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.983 0.896 . . . . 0.0 110.233 -175.624 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.808 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 22.8 ptt? . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.155 0.502 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.38 127.91 34.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.439 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.43 HD12 HD12 ' B' ' 67' ' ' LEU . 35.9 pt -116.51 138.13 48.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.97 96.21 7.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.214 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.761 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.5 t -80.57 97.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.851 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.0 mttm -98.72 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.122 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.509 HG22 HD23 ' B' ' 69' ' ' LEU . 70.9 p -71.49 168.55 17.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.511 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.646 HD12 HG23 ' B' ' 70' ' ' VAL . 8.4 tt -61.13 -30.22 70.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.5 p -77.12 -7.69 56.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.2 27.03 22.06 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.263 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 14.0 mmmm -94.42 135.65 35.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -103.35 106.69 17.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.869 0.366 . . . . 0.0 110.792 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.761 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 67.8 mt -100.36 109.16 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.222 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -87.94 112.59 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.93 134.38 55.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -175.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -94.76 102.78 14.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.51 156.93 42.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.803 0.335 . . . . 0.0 110.689 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.39 158.46 15.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.786 0.327 . . . . 0.0 110.549 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 4.4 p -71.8 -20.78 61.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.302 176.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -76.35 -10.78 59.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.029 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -88.92 160.25 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 40.5 p -93.41 156.47 16.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.793 0.33 . . . . 0.0 111.262 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.527 HG22 ' HE3' ' B' ' 27' ' ' LYS . 49.0 mm -60.37 -37.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.594 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.98 -47.52 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.149 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.578 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 22.8 t30 -74.77 -34.02 62.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -174.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.673 HG21 HD11 ' B' ' 56' ' ' LEU . 74.5 t -64.77 -41.33 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 110.223 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.527 ' HE3' HG22 ' B' ' 23' ' ' ILE . 97.5 mttt -60.88 -40.16 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -74.47 -21.01 59.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 69.0 mttm -66.97 -43.36 83.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.165 0.507 . . . . 0.0 109.65 170.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.81 -32.03 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.059 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 21.5 tm0? -65.47 -32.58 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.642 175.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.44 -34.1 69.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -77.98 -72.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.287 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.44 -23.92 20.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 111.639 -174.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.92 40.9 6.08 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.128 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -103.25 121.8 47.46 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.8 Cg_exo -55.81 131.84 48.45 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.008 2.472 . . . . 0.0 112.29 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.9 Cg_exo -57.56 -39.14 90.79 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.141 2.561 . . . . 0.0 112.756 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.582 . . . . 0.0 110.366 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -78.49 -13.71 59.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.695 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.24 121.01 33.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -121.11 108.1 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.2 mt -83.15 136.29 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 61.7 mt -117.45 117.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.484 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -112.87 99.29 7.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.234 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 25.47 11.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.483 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.69 -26.57 9.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.103 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 28.8 mtpp -71.83 134.73 46.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 111.053 -177.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -89.83 114.27 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.957 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.1 mp -86.35 104.76 16.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -91.43 170.1 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.374 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.24 169.79 16.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.624 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.18 -24.55 31.81 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.815 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.413 ' HD2' ' CG ' ' B' ' 58' ' ' ASP . 38.3 mmt180 -108.7 169.7 8.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.083 0.468 . . . . 0.0 111.877 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.1 p -95.7 178.5 5.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.493 175.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.673 HD11 HG21 ' B' ' 26' ' ' VAL . 6.6 mp -76.04 -23.17 55.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 110.052 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.2 t -68.92 -35.55 76.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.03 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 31.2 m-20 -62.5 -35.35 79.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.441 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -89.78 6.08 43.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m120 62.34 33.05 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.647 0.592 . . . . 0.0 111.066 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.507 HD11 HD21 ' B' ' 50' ' ' LEU . 69.8 mt -72.98 135.85 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -114.59 -178.68 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.808 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 37.8 mtmm -71.04 140.55 50.79 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.804 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 63.74 33.29 13.06 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.891 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -76.9 146.14 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.279 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -95.37 106.6 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.71 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.43 HD12 HD12 ' B' ' 3' ' ' ILE . 95.3 mt -103.72 119.33 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.571 ' HB3' HE22 ' A' ' 59' ' ' GLN . 40.7 m-70 -89.87 126.44 35.71 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.672 178.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.509 HD23 HG22 ' B' ' 7' ' ' THR . 53.1 tp -96.73 103.61 15.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.646 HG23 HD12 ' B' ' 8' ' ' LEU . 4.8 p -98.16 136.43 29.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.26 140.67 29.24 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.243 0.544 . . . . 0.0 111.674 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -77.39 127.42 32.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 173.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -174.196 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 47.3 mtpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.052 0.453 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -127.91 149.17 50.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.119 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.8 166.24 34.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.192 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.55 HG12 ' HD2' ' A' ' 30' ' ' LYS . 62.4 mt -131.1 130.07 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.454 HG21 HD12 ' A' ' 25' ' ' ILE . 7.7 p -80.34 129.82 36.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.329 0.585 . . . . 0.0 110.699 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -95.74 -16.2 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.896 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 11' ' ' VAL . 96.8 m-85 -122.75 -174.91 3.03 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -102.26 163.67 12.11 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.472 ' HB3' HG12 ' A' ' 25' ' ' ILE . 61.8 t80 -156.05 116.01 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.022 0.439 . . . . 0.0 110.804 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mmm -94.39 120.2 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.979 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -94.54 157.07 16.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -130.87 -33.97 1.53 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.104 0.478 . . . . 0.0 109.944 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.6 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 12.3 t -84.42 152.32 24.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.592 -174.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.84 -20.61 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.596 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.641 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 55.4 mt-10 -81.53 170.98 15.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.126 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 45.5 tp -135.97 116.49 13.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.612 0.244 . . . . 0.0 110.809 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.8 m -71.93 113.85 9.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.529 177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' A' ' 15' ' ' PHE . 24.1 pt -123.49 153.32 29.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.263 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -118.28 157.32 27.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.209 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.21 112.94 1.71 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.72 0.13 29.0 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.227 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.96 145.05 54.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 111.061 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.55 ' HD2' HG12 ' A' ' 10' ' ' ILE . 13.5 tptp -96.04 118.26 32.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.337 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.48 153.48 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 112.485 -174.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 25.5 m-85 -97.63 132.88 42.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.668 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.3 mt -87.15 96.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 56.5 mt -71.94 -59.62 2.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.297 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -137.69 124.12 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.265 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 6.4 p-10 -121.02 25.64 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.583 0.706 . . . . 0.0 109.482 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -117.24 -29.15 5.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.391 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -37.71 81.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 111.026 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 169.01 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 40' ' ' LYS . 16.2 tptp -109.04 3.39 22.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.761 0.791 . . . . 0.0 109.667 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.66 ' HB3' HD11 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -120.71 -63.44 1.35 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.074 -173.393 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.487 ' HB3' ' HG ' ' A' ' 55' ' ' LEU . 80.6 m95 -98.61 123.53 42.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 36' ' ' ASP . 40.9 m0 -115.47 162.1 17.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.289 -176.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.569 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 69.7 mmm -92.31 106.57 18.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.733 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 87.1 m -115.96 141.08 48.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.096 0.474 . . . . 0.0 110.296 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -119.49 129.1 54.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.531 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' HG ' HD21 ' A' ' 23' ' ' LEU . 88.4 mt -64.64 116.84 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 32' ' ' TYR . 89.1 t -53.23 -55.12 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.76 -18.52 58.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.863 0.363 . . . . 0.0 111.905 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -102.9 -30.41 10.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.92 -172.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.04 -11.11 65.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -73.99 121.22 20.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.1 m -102.41 143.62 31.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.516 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.695 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -155.45 177.83 32.41 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.769 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 42' ' ' TRP . 20.1 tp -97.46 122.35 40.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -177.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.1 158.89 74.3 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.623 0.249 . . . . 0.0 111.146 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.85 129.8 13.83 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.997 2.465 . . . . 0.0 112.48 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.09 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.611 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -75.88 12.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.28 -6.28 4.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.06 128.48 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.622 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -108.44 104.21 53.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.27 147.88 83.93 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.963 2.442 . . . . 0.0 112.268 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.033 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' B' ' 18' ' ' GLU . 6.3 ptm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.365 0.602 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 78.0 mt-30 -93.97 128.35 40.25 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.909 177.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.464 HD12 HD12 ' B' ' 67' ' ' LEU . 27.5 pt -117.55 142.61 30.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.025 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -96.72 93.84 6.95 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.31 119.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.667 0.746 . . . . 0.0 110.568 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -103.34 114.66 29.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.736 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.606 HG22 HD23 ' B' ' 69' ' ' LEU . 80.9 p -74.1 178.14 5.24 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 41' ' ' ASP . 3.5 tt -50.48 -52.22 40.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.396 176.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -26.24 65.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.854 -173.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.12 -6.4 12.03 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.462 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.416 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.0 tptm -58.65 114.49 2.52 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.208 -0.496 . . . . 0.0 110.08 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.8 m -97.97 118.32 34.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.966 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.65 122.09 68.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.2 m -80.23 110.91 16.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.57 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.16 129.49 55.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 -172.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.76 107.49 18.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.163 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.57 HG13 HD12 ' B' ' 15' ' ' LEU . 34.6 m -134.05 -177.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.337 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 47.7 mt-10 -128.9 170.91 12.83 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.459 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 5.5 p -66.79 -32.74 74.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.162 0.506 . . . . 0.0 110.25 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -79.56 -4.57 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.111 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -66.64 144.16 56.56 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.029 175.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 26' ' ' VAL . 31.8 p -87.05 149.32 24.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.52 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 50.1 mm -55.9 -34.37 37.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 36.8 t70 -72.63 -32.11 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.104 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -65.05 -39.37 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.348 0.594 . . . . 0.0 109.579 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 22' ' ' THR . 16.3 t -63.78 -39.7 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.654 176.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 95.9 mttt -56.47 -47.42 79.26 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.557 175.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -60.41 -40.34 90.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.935 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HB3' HD11 ' B' ' 15' ' ' LEU . 99.6 mttt -66.59 -29.21 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -80.71 -40.99 19.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.012 0.434 . . . . 0.0 110.47 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.65 -34.78 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.433 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.34 -25.81 50.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.028 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -107.82 -60.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.881 -174.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.429 ' HB3' HG13 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -88.19 -13.4 41.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.764 0.316 . . . . 0.0 111.804 -176.281 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.07 60.55 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.663 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.466 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 62.6 mt -89.01 118.49 69.27 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.486 0.184 . . . . 0.0 110.568 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.537 ' HB2' ' OD1' ' B' ' 39' ' ' ASP . 9.3 Cg_endo -54.14 135.26 63.87 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.173 2.582 . . . . 0.0 112.494 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -57.05 -33.57 95.97 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.399 2.732 . . . . 0.0 113.004 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.537 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 16.8 p-10 -72.11 -23.93 61.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.668 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 8.5 tt0 -82.87 -26.82 31.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.29 0.567 . . . . 0.0 110.144 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.433 ' HG3' HG22 ' B' ' 36' ' ' ILE . 48.1 mt-30 -77.59 111.42 13.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.17 -175.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -113.4 112.79 24.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.443 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.9 mm? -86.67 134.59 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -177.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -124.74 128.48 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.131 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -112.76 94.63 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.331 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.53 17.22 4.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.509 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.01 -24.4 6.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.365 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' B' ' 48' ' ' LYS . 4.7 ttmp? -85.42 118.1 24.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -73.82 136.01 43.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.443 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 41.7 mt -106.96 113.76 27.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.36 151.71 20.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.746 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.475 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.2 p-10 -74.07 159.14 33.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.49 13.14 68.39 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -171.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -134.28 157.89 45.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -102.58 170.45 8.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.7 mp -72.6 -28.24 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -62.04 -37.54 85.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.66 -53.23 60.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.449 -176.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -84.73 3.4 37.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.297 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 54.22 65.25 1.56 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 111.039 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.9 mt -94.14 122.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.01 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -72.94 164.58 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.534 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.27 156.84 20.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 38.3 mt-10 64.96 22.66 12.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.387 0.613 . . . . 0.0 109.937 -176.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 p -82.97 163.61 20.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.36 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -109.76 125.45 52.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.464 HD12 HD12 ' B' ' 3' ' ' ILE . 88.9 mt -115.71 140.31 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.017 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -98.83 130.47 45.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.718 0.294 . . . . 0.0 110.224 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.606 HD23 HG22 ' B' ' 7' ' ' THR . 56.4 tp -106.1 98.47 8.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.404 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.14 130.3 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' B' ' 8' ' ' LEU . 2.9 mm? -92.95 125.99 37.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.323 0.583 . . . . 0.0 111.697 -171.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.668 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 65.7 ttt180 -72.38 112.94 8.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -165.904 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.624 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 61.9 mttp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.865 0.364 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -109.43 145.42 36.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.68 149.6 21.58 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.526 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.498 HG13 HG22 ' A' ' 64' ' ' VAL . 68.9 mt -115.33 111.74 36.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 25' ' ' ILE . 2.9 p -72.11 133.81 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 111.173 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.41 -35.7 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.959 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -100.73 150.75 22.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 0.0 111.054 -176.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.429 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 11.2 m-20 -87.12 91.68 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.92 126.71 34.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.293 -174.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -93.82 123.19 37.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 124.35 32.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.804 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -76.89 -66.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.054 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -83.63 170.3 14.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.72 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -77.59 -20.84 53.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 109.924 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.99 -20.84 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.983 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -91.63 158.35 16.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.573 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.2 tp -125.38 126.28 44.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 0.0 111.455 -176.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -73.64 112.92 10.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.26 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.56 HD12 HG21 ' A' ' 11' ' ' VAL . 7.7 pt -116.45 144.57 23.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -105.6 143.04 34.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.923 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -58.38 116.98 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.062 0.458 . . . . 0.0 110.553 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.19 -10.29 31.35 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.714 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.35 146.06 55.04 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.149 0.5 . . . . 0.0 110.679 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.9 tppt? -97.69 118.53 34.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 47' ' ' LEU . 35.3 m -124.61 150.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.281 0.563 . . . . 0.0 111.692 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -98.35 134.4 41.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.359 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.624 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 49.7 mt -93.22 100.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.897 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.44 -63.95 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.547 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.66 ' H ' ' HB2' ' A' ' 44' ' ' MET . 47.9 t0 -112.2 125.66 54.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.2 p-10 -137.4 -26.65 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -172.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.29 -22.12 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.068 -0.395 . . . . 0.0 111.873 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -36.8 74.82 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -136.82 118.87 15.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.788 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -90.36 -6.24 55.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.097 0.475 . . . . 0.0 110.566 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' B' ' 8' ' ' LEU . 4.1 m-20 -84.66 -49.76 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -131.37 127.63 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.984 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.429 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 35.9 m0 -101.97 157.46 16.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.032 0.444 . . . . 0.0 111.614 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.66 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.6 mmm -92.4 102.04 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.995 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.581 ' SG ' HD23 ' A' ' 23' ' ' LEU . 29.6 p -100.57 146.81 26.65 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.485 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 50.0 tt0 -125.67 124.99 42.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.0 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.629 HD23 HG12 ' A' ' 31' ' ' VAL . 90.9 mt -76.12 133.93 40.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 30' ' ' LYS . 80.7 t -69.5 -36.81 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.84 -70.73 0.19 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 p -77.05 -50.64 12.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.904 0.383 . . . . 0.0 111.41 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.55 -0.25 29.24 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.367 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.6 155.76 40.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.636 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -131.19 160.85 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.618 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -179.44 169.3 40.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.866 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.96 130.94 35.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.626 0.251 . . . . 0.0 110.682 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 HD13 ' A' ' 25' ' ' ILE . 27.1 m -140.2 157.18 69.43 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.308 177.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.4 131.22 44.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.796 2.33 . . . . 0.0 112.511 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.44 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.225 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.541 HE22 HG22 ' B' ' 70' ' ' VAL . 11.9 pm0 -85.01 3.76 37.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.859 0.361 . . . . 0.0 111.361 -174.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -91.59 -9.2 45.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.073 0.464 . . . . 0.0 110.271 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.427 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 41.4 mm -111.12 126.58 68.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.433 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -92.65 107.88 27.48 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 61' ' ' ILE . 27.3 Cg_exo -62.18 129.03 25.63 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.298 1.998 . . . . 0.0 111.054 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 10' ' ' ILE . 4.9 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.785 0.802 . . . . 0.0 109.79 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.462 ' HB2' ' HG2' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -128.7 141.91 51.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.383 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.523 HD12 HD12 ' B' ' 67' ' ' LEU . 37.3 pt -125.41 158.34 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -106.03 107.54 18.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.119 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.3 t -84.54 98.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -101.73 110.23 22.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.717 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.654 HG22 HD23 ' B' ' 69' ' ' LEU . 62.5 p -82.61 -174.45 5.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.496 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.642 HD13 ' HA ' ' A' ' 41' ' ' ASP . 25.3 mt -74.11 -31.71 62.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.539 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 p -90.41 9.09 30.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.901 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.09 49.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.753 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -62.86 117.34 6.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.871 0.367 . . . . 0.0 110.201 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 17.2 m -123.88 114.11 19.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.415 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.426 HG13 ' HB ' ' B' ' 5' ' ' VAL . 20.9 pt -108.76 145.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.451 . . . . 0.0 111.283 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -90.62 112.02 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.712 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -106.8 128.12 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.876 -172.173 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -80.47 106.38 12.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.472 0.653 . . . . 0.0 111.015 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.712 HG13 HD12 ' B' ' 15' ' ' LEU . 15.8 m -141.64 153.08 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.927 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 4.6 tp10 -111.62 173.24 6.44 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 7.2 m -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 0.0 110.409 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -81.27 -8.77 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.968 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -70.19 128.1 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.177 0.513 . . . . 0.0 110.904 -178.311 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.474 ' O ' HG23 ' B' ' 26' ' ' VAL . 9.9 p -81.29 151.11 28.22 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.962 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.557 HG22 ' HE3' ' B' ' 27' ' ' LYS . 43.1 mm -57.04 -40.42 72.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.677 0.275 . . . . 0.0 110.583 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.56 -43.96 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.409 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -70.19 -39.36 75.27 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.525 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 22' ' ' THR . 48.9 t -58.84 -42.47 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.557 ' HE3' HG22 ' B' ' 23' ' ' ILE . 98.6 mttt -58.3 -45.26 88.34 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.194 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.5 p -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 111.189 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HB3' HD11 ' B' ' 15' ' ' LEU . 95.3 mttt -67.15 -38.99 86.44 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.4 mt -71.0 -35.25 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.94 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.42 -24.31 66.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.08 -32.13 66.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 0.0 110.546 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -92.68 -63.05 1.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.729 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.37 -24.11 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.03 45.6 25.62 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.076 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.9 130.34 23.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.8 Cg_endo -56.54 129.93 37.34 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.964 2.443 . . . . 0.0 112.385 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -59.75 -27.47 85.02 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.281 2.654 . . . . 0.0 112.622 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.7 -35.56 80.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.358 0.599 . . . . 0.0 110.678 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.464 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 23.5 tt0 -81.9 -31.59 31.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.997 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.437 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 49.4 mt-30 -79.89 121.16 25.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.037 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -131.92 116.61 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.355 0.598 . . . . 0.0 110.435 166.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.435 HD13 HD13 ' B' ' 67' ' ' LEU . 63.9 mt -81.18 132.61 35.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.289 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.401 HD12 HG21 ' B' ' 70' ' ' VAL . 55.1 mt -119.51 126.12 75.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.018 0.437 . . . . 0.0 110.257 176.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -127.8 116.16 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.2 25.88 15.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.44 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 98.41 -14.17 62.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.754 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -85.95 129.38 34.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -86.94 115.8 24.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.467 HD21 HD11 ' B' ' 61' ' ' ILE . 10.0 mp -70.29 112.9 6.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 9.3 tp10 -64.88 146.98 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.584 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.37 -37.42 77.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.709 -174.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' B' ' 51' ' ' GLU . . . -99.04 26.21 25.18 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.294 -176.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.528 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 10.3 mmt180 -107.39 170.39 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.078 0.439 . . . . 0.0 111.159 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -106.94 167.63 9.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.12 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.56 -26.4 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.026 0.441 . . . . 0.0 110.446 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 34.3 t -69.42 -34.43 74.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.719 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -64.27 -36.35 83.8 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.849 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.417 ' CZ ' ' HA ' ' B' ' 50' ' ' LEU . 82.5 m-85 -90.92 1.68 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 58.86 71.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.814 0.816 . . . . 0.0 110.267 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.467 HD11 HD21 ' B' ' 50' ' ' LEU . 69.2 mt -110.93 125.22 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.708 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -99.28 -176.17 3.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' B' ' 1' ' ' MET . 8.6 mtmp? -67.95 140.74 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.695 0.283 . . . . 0.0 111.27 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 67.33 20.18 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.575 171.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.6 m -70.86 133.09 46.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.712 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.3 m -88.78 114.79 25.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.866 0.365 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.523 HD12 HD12 ' B' ' 3' ' ' ILE . 81.6 mt -97.37 129.35 44.63 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.782 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.456 ' HB3' HE21 ' A' ' 59' ' ' GLN . 91.6 m-70 -85.62 109.12 18.34 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.654 HD23 HG22 ' B' ' 7' ' ' THR . 43.8 tp -83.67 104.18 13.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.024 0.44 . . . . 0.0 110.573 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.541 HG22 HE22 ' A' ' 59' ' ' GLN . 44.8 t -101.11 132.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.464 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 2.8 mm? -97.02 132.62 42.64 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.265 0.555 . . . . 0.0 111.074 -173.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -85.05 130.85 34.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.464 -176.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.711 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 91.4 mttt . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 8' ' ' ARG . 62.0 mtt85 -126.66 141.21 51.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.57 178.94 30.27 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.95 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -131.33 135.57 59.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 29' ' ' ASP . 2.4 p -76.19 122.91 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 110.294 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -98.09 -29.76 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.015 -172.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 89.0 m-85 -119.44 158.46 26.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.974 0.416 . . . . 0.0 111.214 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.556 ' HB3' ' HA3' ' B' ' 47' ' ' GLY . 18.7 t0 -80.36 123.91 28.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.691 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.555 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 79.4 t80 -128.51 110.18 12.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.958 0.408 . . . . 0.0 111.293 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.731 ' HA ' HG23 ' A' ' 24' ' ' THR . 25.4 ptm -91.08 130.42 36.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.841 173.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -90.71 153.81 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.64 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.53 ' HG2' ' NH2' ' B' ' 42' ' ' ARG . 11.4 pt-20 -116.93 -12.24 10.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.038 0.447 . . . . 0.0 109.975 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 m -121.63 157.01 31.74 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.899 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -74.08 -25.9 60.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.45 -23.33 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.662 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 45.1 mt-10 -77.26 171.41 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.147 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.537 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 50.3 tp -127.56 109.74 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.428 177.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.731 HG23 ' HA ' ' A' ' 16' ' ' MET . 33.7 m -64.95 105.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.944 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.555 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 15.1 pt -109.21 138.52 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.3 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -106.61 127.59 53.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.852 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -52.12 132.44 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.414 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -14.19 30.77 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.115 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.442 ' O ' HG12 ' A' ' 11' ' ' VAL . 37.3 t0 -86.62 153.13 22.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 110.074 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 80.9 tttt -91.54 137.05 32.67 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 61' ' ' ILE . 16.3 m -129.78 147.6 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.389 0.614 . . . . 0.0 111.678 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' CE2' HG22 ' A' ' 48' ' ' VAL . 60.4 m-85 -98.53 123.72 42.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.482 173.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.8 mt -84.92 102.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.995 0.426 . . . . 0.0 109.947 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 89.0 mt -66.54 -46.82 74.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.836 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.571 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 5.8 t0 -153.31 142.63 21.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.062 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -110.48 -11.49 14.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.217 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 55.0 mtmt -141.71 27.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.848 -173.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 28.1 mmtm -69.97 -47.49 62.07 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 m -105.54 -5.81 19.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.554 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 80.6 tttt 70.17 -69.45 0.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.084 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.572 ' HB3' HD22 ' B' ' 8' ' ' LEU . 21.1 m-20 -79.57 -17.6 53.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.59 0.71 . . . . 0.0 110.227 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' HH2' ' OE2' ' A' ' 22' ' ' GLU . 12.0 m95 -115.85 132.94 56.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.954 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -111.03 159.07 18.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.244 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.452 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 18.9 mtp -108.21 112.7 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.9 m -124.69 148.13 48.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.068 0.461 . . . . 0.0 111.615 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 5.6 tt0 -121.85 129.76 52.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.213 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 31' ' ' VAL . 90.8 mt -68.58 134.91 50.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.543 HG22 ' CE2' ' A' ' 32' ' ' TYR . 73.6 t -63.2 -51.21 74.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -69.56 -60.88 2.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.875 0.369 . . . . 0.0 111.481 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.3 p -74.16 -39.55 63.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.03 4.18 60.16 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.037 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -66.98 121.91 16.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.304 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 2.6 m -116.29 135.74 53.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.19 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -163.68 -176.26 35.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.62 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.63 132.13 35.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.818 0.342 . . . . 0.0 110.693 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.93 154.69 77.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 49.3 Cg_endo -71.64 142.76 40.64 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.403 2.069 . . . . 0.0 112.398 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -25.77 67.8 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 47.7 mt-30 -70.34 -3.76 18.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.509 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 4.1 m-85 -114.87 -8.2 12.57 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.985 -170.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 31' ' ' VAL . 44.1 mm -115.65 127.85 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 111.13 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.57 108.29 58.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.483 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.04 127.4 24.1 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.473 2.115 . . . . 0.0 111.533 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.726 -173.423 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.401 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 121.193 0.521 . . . . 0.0 110.574 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 94.6 mt-30 -81.62 140.28 34.52 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.886 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -117.79 143.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.415 171.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -99.06 92.64 5.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.708 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.732 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -89.67 109.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.673 0.749 . . . . 0.0 110.192 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.8 mttp -95.8 113.63 25.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.815 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 81.2 p -71.9 159.64 33.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.849 -177.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 41' ' ' ASP . 3.2 tt -58.99 -33.66 70.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.15 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -66.33 -36.8 83.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.35 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.12 47.39 0.2 Allowed Glycine 0 CA--C 1.505 -0.544 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.762 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 16.4 tppt? -128.7 112.96 14.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.603 0.24 . . . . 0.0 110.577 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.2 m -83.09 95.93 8.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.438 . . . . 0.0 110.122 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.732 ' HB ' HG13 ' B' ' 5' ' ' VAL . 62.2 mt -90.7 136.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.309 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -99.04 113.07 25.09 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -117.75 135.19 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.788 -175.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -92.27 105.92 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.34 179.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 28.5 tt0 -122.18 151.06 41.39 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.915 -0.491 . . . . 0.0 110.469 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -58.79 -28.5 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.424 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -95.06 12.65 27.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.549 -179.343 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.569 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -80.93 161.14 24.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.687 178.375 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.0 p -87.56 152.61 22.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.627 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.1 mm -60.92 -30.75 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.42 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.073 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -61.84 -45.86 91.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.745 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 65.2 t -58.83 -45.83 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.734 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 83.5 mttt -58.74 -42.65 89.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.314 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 t -65.1 -39.0 92.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.455 . . . . 0.0 110.766 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' B' ' 15' ' ' LEU . 30.2 mtpp -70.42 -29.0 65.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.7 mt -74.76 -35.63 37.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.32 -32.21 71.01 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.176 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.79 -33.5 74.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.321 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -87.34 -58.78 2.46 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.636 -174.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -91.79 -15.34 28.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 35.52 63.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.23 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.456 HG23 HE21 ' B' ' 40' ' ' GLN . 59.7 mt -106.02 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -177.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 73.6 Cg_exo -50.89 131.37 34.17 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.168 2.578 . . . . 0.0 112.777 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.44 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 23.9 Cg_exo -64.24 -30.37 64.22 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.182 2.588 . . . . 0.0 112.496 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.52 -24.97 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.17 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.456 HE21 HG23 ' B' ' 36' ' ' ILE . 28.0 tt0 -90.02 -36.44 14.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.679 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.454 ' HB3' HD11 ' B' ' 69' ' ' LEU . 26.6 mt-30 -63.74 117.12 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.53 ' NH2' ' HG2' ' A' ' 18' ' ' GLU . 60.5 mtp180 -119.96 120.51 36.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.809 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.7 mt -97.53 132.72 42.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.22 128.47 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.186 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -130.64 114.21 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.958 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.59 18.86 9.9 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.556 ' HA3' ' HB3' ' A' ' 14' ' ' ASP . . . 99.85 -10.3 60.48 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -87.68 129.41 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.72 123.33 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.7 mp -82.5 105.61 13.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.992 0.425 . . . . 0.0 110.392 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -89.9 133.99 34.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.627 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.7 p-10 -76.51 141.61 41.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.13 -173.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.08 -30.15 6.7 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -89.23 -178.19 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 48.3 p -107.99 168.85 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.54 176.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 18' ' ' GLU . 97.3 mt -68.65 -23.15 64.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.226 0.536 . . . . 0.0 110.303 176.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.1 t -71.11 -21.61 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.49 -33.67 74.18 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' B' ' 50' ' ' LEU . 62.1 m-85 -106.17 11.19 31.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 52.57 48.91 21.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.236 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.34 126.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -90.1 -176.14 4.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.246 -176.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 93.7 mttt -74.65 146.38 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.952 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 67.43 24.39 8.84 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 172.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -79.99 151.34 30.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.432 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -98.58 129.48 45.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.144 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 77.8 mt -117.35 142.91 46.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.429 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -103.75 127.14 51.25 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.283 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.595 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 62.1 tp -97.91 107.21 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.189 0.519 . . . . 0.0 111.118 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.2 t -104.84 123.79 59.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.534 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.12 138.82 41.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 60.8 ttm-85 -67.61 -25.77 65.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.087 176.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--O 1.233 0.204 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.388 179.174 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.752 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 43.6 mttp . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.792 0.33 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -126.03 140.56 52.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.104 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -148.25 167.3 29.02 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.44 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.513 ' CD1' ' HB ' ' A' ' 64' ' ' VAL . 2.4 mp -113.51 125.38 70.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 p -75.73 116.59 18.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.422 0.63 . . . . 0.0 110.432 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.6 -36.86 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.927 -172.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.8 147.01 49.55 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.196 -0.201 . . . . 0.0 110.75 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.08 149.66 47.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.005 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.598 ' HB3' HG12 ' A' ' 25' ' ' ILE . 71.0 t80 -144.34 109.94 5.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.861 0.363 . . . . 0.0 110.316 177.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.3 mmt -89.64 107.72 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.622 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -77.02 177.71 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.724 -175.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -141.62 -41.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.113 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -86.91 170.32 11.73 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -78.0 -17.2 57.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.382 . . . . 0.0 110.396 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.72 -36.81 78.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.579 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 1.7 mp0 -87.86 148.32 24.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.08 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.54 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 60.0 tp -111.69 127.8 55.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.291 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -73.08 101.24 3.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.598 HG12 ' HB3' ' A' ' 15' ' ' PHE . 20.6 pt -103.09 145.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -114.11 128.34 56.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.124 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.6 t -55.38 122.08 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.16 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.81 -3.84 45.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.691 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.24 178.5 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -112.2 120.42 41.72 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 28.7 m -122.14 137.39 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.4 0.619 . . . . 0.0 112.255 -177.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CD2' HG22 ' A' ' 48' ' ' VAL . 10.5 m-85 -87.95 117.65 26.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.616 170.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.752 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 60.8 mt -82.29 106.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.514 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 61.8 mt -69.25 -41.57 76.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.837 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 13.6 t70 -161.48 141.03 10.27 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.999 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HB3' HG21 ' A' ' 33' ' ' ILE . 13.9 p-10 -138.76 19.14 2.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.839 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -123.88 -34.35 3.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.028 -172.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 43.6 mmtm -65.83 -27.42 68.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.684 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -133.85 145.76 49.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.95 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -92.76 -27.22 17.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -81.81 -69.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.471 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -104.81 137.96 41.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.916 0.389 . . . . 0.0 110.48 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.5 m0 -113.54 161.7 17.06 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.514 ' HG3' ' HB2' ' A' ' 34' ' ' LEU . 7.4 ptp -113.88 123.8 50.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.177 178.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.56 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 29.4 p -125.09 164.24 20.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.455 -178.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 26.0 tt0 -133.37 122.27 23.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.883 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD23 HG12 ' A' ' 31' ' ' VAL . 89.8 mt -60.73 123.7 18.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.585 HG22 ' CD2' ' A' ' 32' ' ' TYR . 97.3 t -60.33 -47.6 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -41.95 62.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.683 0.278 . . . . 0.0 110.947 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -83.38 -31.72 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.717 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.93 34.73 58.67 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.662 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 46' ' ' GLN . 26.6 mtpp -112.68 134.55 54.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -118.44 149.95 40.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -175.52 -178.87 45.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.41 136.82 32.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.477 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.89 157.65 71.27 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.278 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.629 ' HB3' HG21 ' B' ' 70' ' ' VAL . 24.0 Cg_exo -64.06 132.31 33.88 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.431 2.087 . . . . 0.0 111.839 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -28.94 62.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 111.726 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.73 0.44 17.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.9 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -110.44 -5.69 15.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.488 HD12 HG21 ' A' ' 31' ' ' VAL . 43.2 mm -120.43 138.14 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.199 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 9.6 tp10 -115.17 106.76 50.77 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.682 173.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 62' ' ' GLU . 18.0 Cg_endo -60.79 128.5 25.82 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.72 2.28 . . . . 0.0 111.774 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.513 ' HB ' ' CD1' ' A' ' 10' ' ' ILE . 4.8 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.038 0.447 . . . . 0.0 110.598 -175.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.749 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.192 0.52 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -87.73 134.17 33.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.569 ' HB ' HD13 ' B' ' 67' ' ' LEU . 34.6 pt -118.51 135.13 59.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 172.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -89.06 101.87 14.52 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -87.97 99.01 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.212 0.529 . . . . 0.0 110.671 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -81.9 109.24 16.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.505 174.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.586 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 47.4 p -79.21 153.6 29.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.934 0.397 . . . . 0.0 110.343 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 8' ' ' LEU . 5.3 tt -65.25 -20.57 66.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.694 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.8 p -78.17 -3.8 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.401 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 30.0 8.12 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.775 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.469 ' HB2' ' OG1' ' B' ' 7' ' ' THR . 48.6 mmtm -116.12 169.66 9.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -142.22 107.75 5.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.6 mt -108.26 113.33 43.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.695 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.0 m -72.16 112.32 8.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.841 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.64 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -112.28 124.61 52.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.58 113.57 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.413 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.64 HG13 HD12 ' B' ' 15' ' ' LEU . 12.0 m -140.86 157.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.683 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.618 ' O ' HD12 ' B' ' 56' ' ' LEU . 3.0 mp0 -104.19 161.96 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 14.4 m -66.1 -19.0 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -77.4 -14.35 59.73 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.35 146.11 50.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.131 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.785 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.3 p -88.48 158.76 18.24 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 30.6 mm -57.88 -30.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 173.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 24.1 t70 -62.55 -46.96 85.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.837 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.408 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 54.3 t30 -72.97 -33.81 66.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 22' ' ' THR . 47.1 t -62.33 -41.76 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 87.5 mttt -57.17 -40.87 78.18 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.391 174.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.7 t -63.44 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.7 mttt -73.46 -27.93 61.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 26' ' ' VAL . 62.8 mt -78.1 -32.52 17.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.29 0.566 . . . . 0.0 109.687 173.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.7 -29.78 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.675 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.93 -16.77 62.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.737 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.699 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -87.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -105.31 -15.08 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.98 66.75 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.538 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.35 124.63 91.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.625 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 22.5 Cg_endo -61.38 143.75 97.93 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.357 2.038 . . . . 0.0 111.841 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.2 Cg_exo -61.18 -27.0 83.21 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.015 2.477 . . . . 0.0 113.213 -177.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 13.3 t70 -65.75 -45.86 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.688 0.28 . . . . 0.0 111.213 -175.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.668 HE21 HD12 ' B' ' 71' ' ' LEU . 14.4 pt20 -80.53 1.86 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -176.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -99.41 123.56 43.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.727 0.298 . . . . 0.0 111.1 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -128.65 121.17 27.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -96.58 136.77 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.701 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.405 ' N ' HD12 ' B' ' 44' ' ' ILE . 4.2 mp -122.76 121.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 22.4 t80 -111.07 98.73 7.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.44 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.4 22.32 10.76 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.159 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 -10.6 27.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.597 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -84.02 139.2 32.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.514 0.197 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -79.19 117.5 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.636 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.662 HD21 HD11 ' B' ' 61' ' ' ILE . 10.0 mp -119.4 99.69 6.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.036 0.446 . . . . 0.0 110.996 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -119.7 166.78 12.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 7.1 p-10 -68.41 147.37 52.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.11 0.481 . . . . 0.0 111.135 -173.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.21 -42.14 1.92 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 54' ' ' ARG . 16.3 mmt180 -84.91 160.69 20.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.332 . . . . 0.0 110.108 177.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.785 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.1 p -101.05 172.03 7.26 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.637 HD22 HD12 ' B' ' 61' ' ' ILE . 81.2 mt -74.5 -19.18 60.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.216 0.531 . . . . 0.0 109.736 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -80.82 -27.35 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -54.96 -60.94 2.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -83.91 -12.63 55.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.146 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 63.27 90.92 0.08 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.662 HD11 HD21 ' B' ' 50' ' ' LEU . 58.3 mt -101.33 144.31 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.84 -170.38 2.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.749 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 10.4 mtmp? -92.69 143.67 26.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.576 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.99 26.01 12.69 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.813 0.696 . . . . 0.0 111.152 173.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 18.7 m -80.19 155.61 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.3 m -100.34 126.42 46.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 111.316 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.569 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.7 mp -117.37 143.58 45.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -103.95 127.84 51.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.605 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.586 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 63.1 tp -94.18 108.37 20.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.629 HG21 ' HB3' ' A' ' 57' ' ' PRO . 65.7 t -105.52 122.08 58.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.668 HD12 HE21 ' B' ' 40' ' ' GLN . 3.3 mm? -82.94 156.64 23.38 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.198 0.523 . . . . 0.0 111.291 -174.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 67.7 mtp180 -109.96 149.15 30.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.85 176.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.034 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -93.45 168.55 10.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.294 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.16 151.94 24.15 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.963 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.508 HG13 HG22 ' A' ' 64' ' ' VAL . 62.3 mt -119.39 120.93 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -78.19 136.07 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 111.887 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.791 HE21 ' HG3' ' A' ' 62' ' ' GLU . 79.9 mm-40 -74.49 -66.32 0.75 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.487 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.508 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.5 m-85 -96.84 -170.02 1.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.872 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -94.69 161.82 14.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.508 ' HB3' HG12 ' A' ' 25' ' ' ILE . 43.8 t80 -147.51 107.2 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.522 ' HA ' HG23 ' A' ' 24' ' ' THR . 66.2 mtt -93.73 105.2 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.859 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.639 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -76.63 156.17 32.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.88 -174.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.8 -33.36 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -94.5 153.92 17.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.896 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -71.41 -16.49 62.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.428 -175.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -84.64 -14.56 48.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.639 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 48.0 mt-10 -90.86 161.66 15.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.763 0.316 . . . . 0.0 110.309 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.502 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.4 tp -117.88 116.91 27.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.865 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.522 HG23 ' HA ' ' A' ' 16' ' ' MET . 22.3 m -75.19 117.74 17.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.698 HG22 HD21 ' A' ' 47' ' ' LEU . 31.5 pt -133.47 161.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.425 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -113.95 158.97 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.132 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -66.95 117.85 9.6 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.866 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.88 -0.17 30.28 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 140.98 38.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.815 0.34 . . . . 0.0 110.36 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -85.54 132.95 34.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.982 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 45' ' ' CYS . 10.4 m -133.21 149.95 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD2' HG22 ' A' ' 48' ' ' VAL . 37.7 m-85 -97.15 135.93 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 168.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.497 ' CG2' ' HB3' ' A' ' 36' ' ' ASP . 30.1 mt -94.9 107.99 20.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -76.38 -78.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.658 ' H ' ' HB2' ' A' ' 44' ' ' MET . 17.4 t70 -93.9 106.74 18.69 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.497 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 7.2 p-10 -123.87 4.89 8.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.549 175.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.51 -62.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.997 -172.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -78.33 -49.11 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -80.36 131.41 35.62 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -115.44 -25.45 7.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.237 0.541 . . . . 0.0 110.169 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.708 ' HA ' HD21 ' B' ' 8' ' ' LEU . 3.2 m-20 -79.11 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.079 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -125.35 151.62 45.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.382 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.2 m0 -123.18 149.33 44.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.774 0.321 . . . . 0.0 110.293 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.658 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 73.1 mtp -87.89 129.29 35.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 87.2 m -138.47 159.3 42.43 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.72 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -132.84 125.2 29.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.834 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.698 HD21 HG22 ' A' ' 25' ' ' ILE . 97.5 mt -61.18 126.61 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.528 0.518 . . . . 0.0 110.509 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.483 HG22 ' CD2' ' A' ' 32' ' ' TYR . 90.1 t -67.43 -34.49 68.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 110.79 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.675 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 p -86.46 -31.14 21.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -172.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 15.52 52.94 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.433 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HB2' HD12 ' A' ' 47' ' ' LEU . 29.6 mtpp -83.5 133.01 34.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 t -117.26 157.98 25.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.758 0.313 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.502 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 171.88 -173.31 45.06 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.183 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.88 137.14 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.77 148.91 67.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.363 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.514 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 23.6 Cg_exo -64.46 131.39 29.71 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.458 2.105 . . . . 0.0 111.851 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.84 -14.98 63.3 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.497 ' CD ' ' HA ' ' B' ' 8' ' ' LEU . 38.2 mt-30 -78.73 -9.23 59.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 111.045 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.514 ' CD1' ' HB2' ' A' ' 57' ' ' PRO . 29.9 m-85 -105.3 -13.76 15.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.607 -174.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mm -106.11 129.37 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.791 ' HG3' HE21 ' A' ' 12' ' ' GLN . 6.3 mm-40 -109.21 104.94 56.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.062 172.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' GLU . 12.1 Cg_endo -57.52 135.84 72.24 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.618 2.212 . . . . 0.0 111.628 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 10' ' ' ILE . 4.8 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.588 0.709 . . . . 0.0 111.671 -171.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.747 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 121.63 0.728 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -103.91 130.07 51.48 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.243 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.553 HD12 HD12 ' B' ' 67' ' ' LEU . 31.2 pt -117.34 148.58 20.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.918 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.01 100.36 11.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.916 0.388 . . . . 0.0 110.445 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.7 t -83.38 97.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.436 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -92.51 101.98 14.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.589 HG22 HD23 ' B' ' 69' ' ' LEU . 61.5 p -70.98 165.17 23.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.129 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 41' ' ' ASP . 5.7 tt -62.82 -31.73 72.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.868 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.1 p -70.3 -27.59 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.761 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.65 -2.57 11.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.672 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -76.68 122.55 24.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -103.66 93.3 4.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -93.92 125.24 46.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.593 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -89.43 112.04 23.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.901 0.381 . . . . 0.0 109.976 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.3 128.64 54.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.421 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.17 106.42 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.622 173.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.17 -175.15 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.464 -175.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.406 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 34.5 tt0 -123.06 156.22 35.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -65.88 -35.12 79.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.486 . . . . 0.0 110.624 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -89.15 8.09 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.737 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 9.1 t70 -80.24 136.96 36.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 62.8 p -81.3 151.3 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 0.0 111.741 -173.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' B' ' 50' ' ' LEU . 42.6 mm -55.5 -34.45 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.41 -39.69 85.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.479 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 31.6 t-20 -70.49 -34.89 72.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.856 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 22' ' ' THR . 24.6 t -67.67 -38.67 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -57.66 -45.67 85.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.095 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.2 p -68.56 -33.99 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 63.2 mttp -59.49 -45.27 92.17 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.62 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.0 mt -67.95 -39.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.618 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.81 -30.81 70.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.3 -24.12 64.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.51 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -87.12 -69.79 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -104.06 6.14 35.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.65 26.74 73.57 Favored Glycine 0 CA--C 1.516 0.112 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.96 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -76.7 118.25 70.38 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.854 -0.203 . . . . 0.0 110.828 -177.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -54.6 134.0 59.79 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.016 2.478 . . . . 0.0 112.446 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -58.94 -36.17 97.32 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.414 2.742 . . . . 0.0 113.264 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.85 -33.39 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.217 0.532 . . . . 0.0 110.978 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.436 ' NE2' ' HD2' ' B' ' 37' ' ' PRO . 7.3 tt0 -74.46 -26.85 60.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -77.94 120.06 22.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.96 -175.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -125.36 114.31 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.12 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.44 ' HB3' HD22 ' B' ' 50' ' ' LEU . 98.8 mt -88.43 127.82 35.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.57 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.54 HD12 HG21 ' B' ' 70' ' ' VAL . 73.2 mt -117.5 119.02 60.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.41 177.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.435 ' HD2' ' HD2' ' B' ' 48' ' ' LYS . 61.3 t80 -107.65 97.48 7.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.157 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.37 19.49 7.75 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.976 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.59 -18.69 11.74 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.166 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.435 ' HD2' ' HD2' ' B' ' 45' ' ' PHE . 62.1 mttm -75.7 133.79 40.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.654 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -88.32 116.42 26.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.217 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' B' ' 23' ' ' ILE . 10.9 mp -87.65 110.79 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.355 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -85.85 141.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.368 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.552 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -80.2 117.21 20.79 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.526 0.679 . . . . 0.0 110.162 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -34.67 1.9 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -87.42 177.15 7.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.1 p -104.56 178.68 4.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.768 0.318 . . . . 0.0 110.778 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.712 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 85.7 mt -71.12 -28.55 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.387 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -66.53 -27.22 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.69 -23.31 67.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.451 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -121.71 19.01 11.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.684 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 m120 62.08 30.71 17.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.756 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.712 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 70.9 mt -78.28 102.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.298 0.571 . . . . 0.0 110.578 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.44 -172.06 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.407 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 12.3 ptmm? -71.62 144.92 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 67.21 17.57 10.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.715 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -78.17 139.76 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 m -93.89 102.62 14.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.08 0.467 . . . . 0.0 111.334 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.553 HD12 HD12 ' B' ' 3' ' ' ILE . 85.4 mt -92.05 117.94 30.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.469 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -81.82 115.51 21.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.589 HD23 HG22 ' B' ' 7' ' ' THR . 58.6 tp -88.76 94.94 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.631 HG13 HD12 ' B' ' 8' ' ' LEU . 31.4 t -95.51 120.61 45.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.349 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.62 132.84 34.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 24.0 mmm180 -75.79 150.16 37.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 -176.146 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 39.1 mttp . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 64' ' ' VAL . 22.1 mtm180 -126.93 159.59 33.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.731 -0.388 . . . . 0.0 109.96 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.79 165.85 35.9 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.37 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mt -120.83 124.27 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 3.2 p -72.23 126.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.388 0.613 . . . . 0.0 111.585 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -80.85 -60.35 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.476 -175.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.423 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 92.0 m-85 -84.23 -179.91 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -112.65 108.69 17.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.658 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 83.7 t80 -109.28 119.31 39.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 112.037 -171.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.449 ' HA ' HG23 ' A' ' 24' ' ' THR . 86.7 mmm -93.01 129.67 38.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.72 173.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -103.61 154.24 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.779 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.46 -42.12 2.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 110.279 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -87.77 159.36 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.213 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.486 ' H ' ' CD ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER -73.92 -19.62 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -178.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.1 -38.36 88.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.23 0.538 . . . . 0.0 109.957 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt-10 -83.22 161.35 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.816 -173.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' HG ' ' A' ' 47' ' ' LEU . 62.7 tp -123.73 122.33 37.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.845 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.449 HG23 ' HA ' ' A' ' 16' ' ' MET . 25.3 m -71.94 110.5 6.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.247 177.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.551 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.3 pt -120.09 123.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.507 . . . . 0.0 111.268 -174.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -84.33 144.6 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.376 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 t -55.76 128.48 35.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.491 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 12.08 68.25 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.62 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 26' ' ' LYS . 3.9 t70 -84.92 -178.51 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.525 0.663 . . . . 0.0 110.721 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -113.68 118.39 34.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.735 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 61' ' ' ILE . 24.5 m -127.15 141.29 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.401 0.62 . . . . 0.0 112.434 -176.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -82.72 143.96 30.55 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.261 170.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.67 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 59.4 mt -105.13 109.02 26.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.185 0.517 . . . . 0.0 109.857 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -82.59 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.741 -177.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.545 ' H ' ' HB2' ' A' ' 44' ' ' MET . 9.6 t0 -134.79 110.03 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.561 177.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -97.3 22.46 8.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 0.0 111.843 -175.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.2 21.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.821 0.819 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.884 ' HZ2' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -65.63 -49.5 68.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.344 -173.385 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -127.73 17.1 6.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.111 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp 67.23 -64.96 0.24 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.776 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.31 -29.93 48.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.334 0.588 . . . . 0.0 110.409 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -121.75 135.72 54.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.382 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.472 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 46.0 m0 -115.05 167.17 11.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.883 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.545 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 63.2 mmm -98.3 118.92 36.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.0 m -135.55 157.43 46.9 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.893 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.547 HE21 ' HA2' ' A' ' 51' ' ' GLY . 48.0 tt0 -132.47 128.78 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.949 -176.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 31' ' ' VAL . 96.3 mt -65.46 118.65 9.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.04 -39.51 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 123.387 0.429 . . . . 0.0 111.892 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -69.81 -54.99 11.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 t -90.21 -27.81 19.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.767 -171.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.547 ' HA2' HE21 ' A' ' 46' ' ' GLN . . . 94.83 0.58 64.0 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.221 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.05 120.72 14.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 4.5 p -119.93 148.93 42.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.861 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.38 -170.78 40.94 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.343 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.1 mm? -85.9 131.95 34.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.487 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 36.0 m -131.03 153.29 81.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.121 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.538 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 17.2 Cg_exo -67.16 140.27 53.24 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.487 2.125 . . . . 0.0 111.991 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -45.68 81.09 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.531 ' OE1' ' HG ' ' B' ' 8' ' ' LEU . 1.6 mp0 -74.15 14.02 0.48 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.658 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 5.6 m-85 -105.72 -25.77 12.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.655 HD12 HG21 ' A' ' 31' ' ' VAL . 36.8 mm -103.0 107.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.96 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.37 134.85 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.412 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -77.36 127.74 9.23 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.58 2.187 . . . . 0.0 110.9 171.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 8' ' ' ARG . 6.8 m . . . . . 0 C--N 1.321 -0.657 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.474 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.8 ptt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.059 0.457 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.69 127.97 33.91 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.543 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -118.94 135.54 59.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.09 110.43 21.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.39 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' B' ' 13' ' ' ILE . 44.5 t -82.42 98.34 4.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.282 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 74.2 tttt -100.68 101.3 12.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.21 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.555 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 71.1 p -78.27 173.61 12.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.959 -170.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.531 ' HG ' ' OE1' ' A' ' 59' ' ' GLN . 2.0 tt -76.31 -14.76 60.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.943 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -89.86 -5.15 57.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.745 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.85 10.95 51.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.217 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 42.7 mmtm -84.01 142.71 30.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -133.79 93.37 3.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.861 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.462 HG13 ' HB ' ' B' ' 5' ' ' VAL . 9.7 pt -108.81 150.91 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.173 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.9 m -95.67 126.09 40.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' B' ' 29' ' ' LYS . 17.7 tp -118.54 126.06 51.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.812 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -86.14 106.74 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.417 HG12 ' CD ' ' B' ' 29' ' ' LYS . 33.5 m -125.6 144.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.497 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.485 ' O ' HD12 ' B' ' 56' ' ' LEU . 31.0 tt0 -87.24 153.18 21.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.89 -17.56 64.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.007 0.432 . . . . 0.0 110.72 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.54 -4.57 50.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.9 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.39 142.98 57.41 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.002 0.429 . . . . 0.0 110.797 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 59.8 p -88.38 158.27 18.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.992 175.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.714 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.7 mm -62.02 -32.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.0 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.505 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 4.6 p-10 -69.95 -30.77 68.23 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.645 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 41.1 t-20 -71.53 -43.21 66.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.55 HG21 HD21 ' B' ' 56' ' ' LEU . 47.5 t -60.77 -41.68 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.401 177.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 91.9 mttt -56.39 -44.71 80.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.139 0.495 . . . . 0.0 110.376 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.2 m -68.96 -29.08 67.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 53.8 mttm -65.6 -38.63 90.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.913 0.387 . . . . 0.0 110.097 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.46 -31.68 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.965 177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.41 0.624 . . . . 0.0 109.562 173.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.26 -34.52 74.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.035 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.72 -70.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.957 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -97.81 -10.65 24.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -171.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.83 39.39 24.7 Favored Glycine 0 C--O 1.23 -0.144 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.657 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 32.0 mt -101.92 129.5 26.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 43.4 Cg_exo -57.34 131.05 42.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.98 2.453 . . . . 0.0 112.599 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.487 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 48.6 Cg_exo -56.75 -44.14 47.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.064 2.509 . . . . 0.0 112.949 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 12.7 m-20 -72.98 -9.06 58.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.909 -176.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 19.1 tt0 -97.48 -9.35 27.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 110.279 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -100.95 127.56 47.38 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.941 -0.474 . . . . 0.0 111.863 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -117.66 112.72 20.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 96.5 mt -88.9 125.56 35.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.558 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 3.2 mp -112.07 124.33 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.445 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -122.68 112.98 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.011 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.62 16.65 6.75 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.072 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 -12.18 46.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.304 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -94.57 138.36 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -86.17 136.54 33.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.237 -177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.651 HD23 HD12 ' B' ' 23' ' ' ILE . 9.3 mp -95.17 102.63 14.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.25 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -80.5 136.49 36.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.714 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.8 p-10 -72.18 135.77 46.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.374 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.79 -44.25 1.2 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -90.32 175.43 7.11 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 72.7 p -96.11 171.51 8.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 111.184 -176.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.55 HD21 HG21 ' B' ' 26' ' ' VAL . 95.7 mt -64.8 -28.84 69.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.187 174.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -66.18 -39.64 89.88 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.573 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -59.58 -39.19 83.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -88.73 4.04 48.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.05 43.09 11.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.828 0.705 . . . . 0.0 111.229 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.557 HD11 HD21 ' B' ' 50' ' ' LEU . 67.9 mt -81.62 132.62 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.593 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -98.91 174.15 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.474 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 63.6 mmtt -69.98 147.29 50.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.547 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 64.17 27.42 14.0 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 110.633 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.5 p -78.47 163.48 25.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.471 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.0 m -123.85 118.14 26.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.748 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.42 143.78 35.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.1 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 91.7 m-70 -100.65 130.32 46.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.831 0.348 . . . . 0.0 110.249 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.555 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 61.1 tp -98.31 108.19 20.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.432 HG22 HD12 ' B' ' 8' ' ' LEU . 67.4 t -108.64 129.48 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.93 149.62 25.51 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.7 0.762 . . . . 0.0 112.319 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 57.8 ttt180 -84.09 144.87 28.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.45 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 120.881 0.372 . . . . 0.0 111.731 -175.213 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.775 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 2.6 mmtp . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -129.05 123.86 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.265 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.56 167.11 29.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.008 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -118.7 129.82 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.445 HG23 ' HB3' ' A' ' 60' ' ' PHE . 4.9 p -75.49 121.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.321 0.581 . . . . 0.0 110.05 175.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.27 -31.59 49.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' O ' HG22 ' A' ' 11' ' ' VAL . 4.4 m-85 -111.8 -177.46 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.797 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.532 ' O ' ' HA2' ' B' ' 47' ' ' GLY . 8.1 m-20 -96.47 160.9 14.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 171.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' HB3' HG12 ' A' ' 25' ' ' ILE . 65.7 t80 -149.24 102.56 3.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.153 0.501 . . . . 0.0 110.668 174.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mtt -83.4 110.98 18.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.765 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.642 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -89.17 150.69 22.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.953 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -130.69 -21.19 2.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.169 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.733 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 22.9 m -89.81 152.29 21.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -73.14 -23.02 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -80.68 -14.4 58.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.801 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.733 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 59.2 mt-10 -86.61 177.2 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.654 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 46.7 tp -136.17 114.59 11.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -70.8 103.3 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.686 HG22 HD21 ' A' ' 47' ' ' LEU . 22.3 pt -117.88 156.58 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -119.48 154.7 33.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.31 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 p -59.71 116.64 4.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.043 0.449 . . . . 0.0 110.871 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.06 -0.35 29.98 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.94 133.1 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -86.4 125.82 33.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.593 HG12 HD23 ' A' ' 47' ' ' LEU . 18.5 m -133.32 151.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.37 0.605 . . . . 0.0 112.184 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CE2' HG22 ' A' ' 48' ' ' VAL . 48.5 m-85 -101.13 135.72 42.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.089 171.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.775 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 mt -94.63 115.28 33.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.591 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 58.3 mt -74.83 -48.18 26.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.558 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -142.44 122.58 13.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.986 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.557 ' HB3' HG21 ' A' ' 33' ' ' ILE . 6.6 p-10 -126.55 12.53 7.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.818 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -109.66 -55.08 2.48 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.775 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -74.17 -48.47 29.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -95.13 102.48 14.29 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.879 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -98.71 -25.46 14.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.66 ' HB2' HD11 ' B' ' 73' ' ' LEU . 4.9 m-20 -84.9 -41.27 16.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.965 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -124.65 122.35 37.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.206 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -95.49 142.48 27.79 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.879 0.371 . . . . 0.0 110.624 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.482 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -86.07 102.78 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.5 m -109.37 144.36 37.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 63.9 tt0 -120.39 126.55 50.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.803 178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.686 HD21 HG22 ' A' ' 25' ' ' ILE . 95.0 mt -68.34 136.33 53.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.118 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.527 HG22 ' CE2' ' A' ' 32' ' ' TYR . 72.9 t -76.14 -23.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.456 0.646 . . . . 0.0 109.455 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.85 -71.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.632 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 p -97.83 -26.35 14.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.876 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.33 6.04 58.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.165 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -78.63 143.76 36.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.697 0.284 . . . . 0.0 110.337 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 21.6 p -120.01 156.02 31.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.912 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.654 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -172.35 176.86 45.23 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.721 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.55 131.84 36.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.681 0.277 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.541 HG11 HD13 ' A' ' 25' ' ' ILE . 33.9 m -136.91 156.24 75.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.333 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HB3' HG21 ' B' ' 70' ' ' VAL . 11.5 Cg_endo -56.42 133.21 56.6 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.957 2.438 . . . . 0.0 112.797 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.96 61.56 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -173.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 7.1 pt20 -72.74 12.01 0.57 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -171.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.445 ' HB3' HG23 ' A' ' 11' ' ' VAL . 3.0 m-85 -96.15 -14.8 22.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.572 0.225 . . . . 0.0 110.698 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.99 126.01 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.122 0.487 . . . . 0.0 111.843 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -112.57 108.98 53.76 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.521 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.1 136.66 70.48 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.922 2.415 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.123 0.487 . . . . 0.0 111.286 -177.221 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.603 ' SD ' ' HD2' ' B' ' 63' ' ' LYS . 16.3 ptt? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.763 0.792 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 29.0 mt-30 -105.13 130.26 53.35 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.008 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 pt -127.13 151.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.547 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -101.56 105.52 16.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.314 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -87.88 98.14 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.16 0.505 . . . . 0.0 110.148 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 24.6 ttmm -87.98 112.57 22.72 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.86 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.582 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 49.7 p -71.21 172.83 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.021 0.438 . . . . 0.0 111.549 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.504 HD12 HG13 ' B' ' 70' ' ' VAL . 9.3 tt -63.2 -36.14 82.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.943 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -78.23 -30.47 48.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.505 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.41 -37.25 1.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.692 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -48.1 115.24 1.12 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.022 0.439 . . . . 0.0 111.423 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 14.4 m -103.6 113.16 26.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.406 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.05 130.87 49.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.695 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -85.85 113.77 22.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.64 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' B' ' 2' ' ' GLN . 3.2 mm? -105.93 136.25 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 111.613 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.92 101.4 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.306 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.42 HG11 HG22 ' B' ' 26' ' ' VAL . 27.2 m -139.03 143.94 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.984 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -82.18 167.6 18.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 111.228 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -64.63 -30.23 71.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.278 0.561 . . . . 0.0 110.605 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -90.34 9.88 27.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.199 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.01 141.22 36.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.469 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.6 p -86.98 151.8 22.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.974 -176.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.1 mm -56.48 -35.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.749 ' HA ' ' HG2' ' B' ' 27' ' ' LYS . 20.5 t70 -69.73 -35.98 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.543 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 3.8 t-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.709 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.491 HG21 HD11 ' B' ' 56' ' ' LEU . 58.6 t -63.11 -51.97 64.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.159 173.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.749 ' HG2' ' HA ' ' B' ' 24' ' ' ASP . 19.7 ptpt -63.33 -29.13 70.49 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.536 ' HA ' ' CD ' ' B' ' 31' ' ' GLN . 28.9 t -66.9 -38.37 86.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.462 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.6 mttp -64.02 -32.89 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 27' ' ' LYS . 59.0 mt -69.02 -39.47 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.403 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.648 ' CD ' ' HG3' ' B' ' 38' ' ' PRO . 28.4 mt-30 -65.65 -27.73 68.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.181 0.515 . . . . 0.0 110.09 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.57 -33.57 76.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.011 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.64 -64.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.294 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -172.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 49.51 4.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.562 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 58.4 mt -106.8 131.49 21.66 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 24.8 Cg_exo -37.37 121.44 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.751 2.967 . . . . 0.0 113.202 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.648 ' HG3' ' CD ' ' B' ' 31' ' ' GLN . 52.9 Cg_exo -56.01 -46.4 31.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.999 2.466 . . . . 0.0 113.298 -176.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.7 -25.51 67.46 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -82.68 -28.99 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.973 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.562 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 27.2 mt-30 -79.59 109.62 14.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 111.399 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.735 ' HG3' ' HD3' ' B' ' 72' ' ' ARG . 3.4 mmp_? -112.98 122.11 46.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' B' ' 50' ' ' LEU . 96.6 mt -91.88 127.93 37.53 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.29 125.46 61.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.469 ' HB3' HD21 ' B' ' 50' ' ' LEU . 73.0 t80 -121.35 109.68 15.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.327 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.42 19.79 9.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.038 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 14' ' ' ASP . . . 110.58 -17.34 28.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.636 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -87.54 123.06 32.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.62 115.69 20.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.326 0.584 . . . . 0.0 109.561 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.551 HD22 ' CG ' ' B' ' 59' ' ' TYR . 13.8 mt -81.72 129.0 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.556 -174.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HA ' ' NH2' ' B' ' 42' ' ' ARG . 30.6 mt-10 -100.16 -179.75 4.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.203 0.525 . . . . 0.0 110.978 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.59 151.39 24.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.895 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.04 -45.07 1.37 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.619 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -82.89 169.06 16.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 0.0 111.22 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.2 p -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.491 HD11 HG21 ' B' ' 26' ' ' VAL . 10.5 mp -65.73 -32.5 74.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.543 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.7 m -65.95 -38.35 88.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.576 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.28 -35.98 82.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.781 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.551 ' CG ' HD22 ' B' ' 50' ' ' LEU . 63.3 m-85 -94.8 -0.84 53.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.426 HD22 ' HA ' ' B' ' 60' ' ' ASN . 9.4 m120 61.44 41.01 13.29 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.9 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.443 HD12 ' HG ' ' B' ' 56' ' ' LEU . 79.7 mt -71.56 117.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.901 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.76 172.07 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.046 -172.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.603 ' HD2' ' SD ' ' B' ' 1' ' ' MET . 12.7 mmmm -59.86 134.51 57.1 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.679 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 60.95 26.53 16.45 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.654 0.597 . . . . 0.0 111.409 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -71.73 158.21 36.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.146 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.5 m -112.76 104.69 12.72 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.168 0.509 . . . . 0.0 110.414 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.18 145.08 27.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.395 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -107.01 114.81 29.11 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.582 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 65.8 tp -92.31 113.88 26.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.12 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.504 HG13 HD12 ' B' ' 8' ' ' LEU . 47.9 t -116.21 129.87 71.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.68 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.05 145.19 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.735 ' HD3' ' HG3' ' B' ' 42' ' ' ARG . 26.4 mmm180 -80.06 -9.1 59.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.312 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.66 HD11 ' HB2' ' A' ' 41' ' ' ASP . 84.1 mt . . . . . 0 N--CA 1.471 0.578 0 C-N-CA 123.161 0.584 . . . . 0.0 112.504 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.709 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 97.5 mttt . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -125.58 144.99 50.32 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.25 175.55 33.91 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.346 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -126.55 130.23 71.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' A' ' 25' ' ' ILE . 2.4 p -79.85 124.87 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.01 0.434 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -98.98 -25.95 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.166 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' HB2' ' CG ' ' A' ' 60' ' ' PHE . 97.6 m-85 -115.77 144.87 43.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 0.0 110.51 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -79.0 142.66 36.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.53 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 88.4 t80 -148.11 135.0 20.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.747 0.308 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.627 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.8 ptp -107.81 127.97 54.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.918 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -89.99 144.0 26.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.279 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -102.03 -20.32 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -115.63 165.69 12.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.65 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -75.18 -24.67 57.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -81.94 -12.05 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 110.537 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 53.8 mt-10 -96.67 151.99 19.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.405 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.648 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 55.8 tp -117.52 128.02 54.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 111.473 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 16' ' ' MET . 86.4 m -77.57 115.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.944 173.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.53 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 10.8 pt -110.2 157.3 10.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.309 0.576 . . . . 0.0 111.62 -175.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -130.87 131.07 44.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.385 -175.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -57.16 124.85 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.853 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.78 -9.07 43.72 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.97 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.42 155.08 24.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -92.49 130.18 38.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.347 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 HD23 ' A' ' 47' ' ' LEU . 35.3 m -127.48 150.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.308 0.575 . . . . 0.0 112.003 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -95.63 140.29 30.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.234 168.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 46.4 mt -105.46 113.33 42.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.4 mm? -94.07 -77.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.572 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 4.5 m-20 -102.04 95.0 6.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.279 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 9.2 p-10 -105.81 -36.32 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.809 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.14 2.81 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.104 0.478 . . . . 0.0 110.825 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 28.5 mmtp -78.03 -48.64 15.68 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.6 m -125.44 171.3 10.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -111.69 15.35 21.04 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.826 ' HA ' HD22 ' B' ' 8' ' ' LEU . 1.1 p-10 -140.7 -71.46 0.37 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.549 -165.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -108.66 124.63 50.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -105.07 150.4 25.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.201 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.572 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 34.0 mtp -87.34 119.7 27.88 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.9 p -132.43 162.35 31.37 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.777 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -133.03 127.04 33.23 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.853 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.646 HD23 HG12 ' A' ' 31' ' ' VAL . 73.5 mt -63.05 118.36 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.88 -43.03 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.72 -11.81 58.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -171.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 p -119.82 -38.22 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.875 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 6.35 56.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.083 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HE3' HD12 ' A' ' 47' ' ' LEU . 58.7 mtmt -84.55 124.73 31.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.799 0.333 . . . . 0.0 110.644 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 5.6 p -114.89 157.57 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.566 -175.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.648 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 174.06 -178.85 45.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.079 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.6 mt -89.07 134.87 33.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.696 0.284 . . . . 0.0 110.999 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.61 158.21 73.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HB3' HG21 ' B' ' 70' ' ' VAL . 25.6 Cg_exo -63.76 127.21 19.08 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.746 2.297 . . . . 0.0 112.15 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.78 -33.25 64.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.427 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.47 0.38 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.085 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.673 ' HZ ' HG21 ' B' ' 44' ' ' ILE . 7.3 m-30 -107.61 -7.72 16.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.631 0.253 . . . . 0.0 111.421 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 31' ' ' VAL . 50.9 mm -110.23 126.85 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 0.0 111.574 -174.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -104.66 105.89 52.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.762 172.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -71.67 130.13 16.59 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 111.921 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 121.655 0.74 . . . . 0.0 110.916 -176.454 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.407 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 21.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.289 0.566 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.54 147.33 47.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.42 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.5 pt -132.36 136.77 55.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.468 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 53.9 m-85 -90.45 95.68 10.29 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.5 t -80.31 100.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.765 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.5 ttmt -97.3 106.03 18.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.802 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.699 HG22 HD23 ' B' ' 69' ' ' LEU . 43.7 p -79.26 160.66 26.75 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.234 -176.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 41' ' ' ASP . 1.1 pp -67.72 -10.42 52.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.833 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.19 -13.42 59.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.335 177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.0 14.85 38.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.065 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.99 115.61 30.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.686 0.279 . . . . 0.0 110.838 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 15.0 m -102.27 93.47 5.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -100.73 124.23 54.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.58 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -80.1 112.21 17.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.032 0.444 . . . . 0.0 110.141 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -98.2 133.61 42.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.33 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.4 107.46 15.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.75 176.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.85 -175.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.469 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 9.2 tp10 -123.49 156.38 35.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -61.44 -42.79 99.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.304 0.573 . . . . 0.0 109.711 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -88.16 20.8 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.786 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 17.9 t0 -91.05 134.83 34.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.469 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.5 p -74.2 148.66 41.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.651 HG22 ' HE3' ' B' ' 27' ' ' LYS . 31.0 mm -55.18 -42.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.276 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -42.9 84.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.514 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -68.08 -38.58 82.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 22' ' ' THR . 49.1 t -60.53 -44.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.07 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.662 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 95.1 mttt -59.37 -36.78 76.38 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -29.91 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.878 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.43 -24.73 60.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.98 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 26' ' ' VAL . 24.1 mm -71.93 -44.02 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.56 -33.96 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.248 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.89 -32.73 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.631 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -110.48 -63.53 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.854 -173.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -75.36 -22.78 57.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.261 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 45.1 26.95 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.128 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.794 HD13 HD21 ' B' ' 71' ' ' LEU . 66.4 mt -111.38 134.36 21.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 55.6 Cg_exo -52.93 121.28 9.03 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.664 2.243 . . . . 0.0 111.632 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.662 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 49.9 Cg_exo -56.4 -43.55 54.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.126 2.551 . . . . 0.0 113.248 -175.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.58 -2.15 31.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 0.0 111.475 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -95.26 -9.73 32.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.346 0.594 . . . . 0.0 109.748 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.551 ' HB3' HD11 ' B' ' 69' ' ' LEU . 47.2 mt-30 -99.19 144.04 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.236 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.418 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 98.8 mtt180 -131.89 124.56 29.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.251 173.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.34 126.58 41.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.025 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.673 HG21 ' HZ ' ' A' ' 60' ' ' PHE . 54.5 mt -117.27 126.2 74.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.954 0.407 . . . . 0.0 110.632 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -129.53 109.65 11.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.293 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.72 22.74 13.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.723 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.5 -15.74 49.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.033 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -82.54 111.86 18.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.679 0.276 . . . . 0.0 110.369 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.418 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 22.8 tt0 -80.92 113.38 19.09 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.582 HD13 HD12 ' B' ' 23' ' ' ILE . 49.1 mt -69.3 123.6 21.62 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.95 -85.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.501 -173.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -179.07 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.57 0.224 . . . . 0.0 110.71 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.41 39.39 3.1 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.342 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.471 ' O ' HG12 ' B' ' 23' ' ' ILE . 3.5 mmp_? -133.45 168.82 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -103.71 172.19 6.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.1 -22.9 62.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.05 0.452 . . . . 0.0 110.488 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.0 m -67.24 -31.53 71.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.96 176.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.64 -43.54 84.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.606 -176.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -85.31 -2.41 58.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.208 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 59.92 59.17 2.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.406 HD11 HD21 ' B' ' 50' ' ' LEU . 67.9 mt -92.93 127.78 44.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -68.09 145.82 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.421 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 22.4 pttp -76.15 160.25 29.92 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.373 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.421 ' HG2' ' HG3' ' B' ' 63' ' ' LYS . 4.4 mm-40 58.54 36.99 25.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.38 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -103.19 157.41 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.297 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 27.1 m -101.88 112.56 25.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.793 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.25 148.88 24.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -95.58 123.41 39.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.699 HD23 HG22 ' B' ' 7' ' ' THR . 42.4 tp -95.36 119.84 34.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.573 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 57' ' ' PRO . 78.6 t -118.34 116.47 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.039 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.794 HD21 HD13 ' B' ' 36' ' ' ILE . 10.7 mp -81.66 143.8 31.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.335 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -86.74 -25.53 24.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.358 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.464 0.233 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.871 -176.762 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.604 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 95.4 mttt . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.922 0.391 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -117.91 147.57 43.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -146.65 157.8 27.52 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.699 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.573 HG13 HG22 ' A' ' 64' ' ' VAL . 87.0 mt -112.09 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 11' ' ' VAL . 1.4 p -69.07 127.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.035 0.445 . . . . 0.0 110.648 178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -85.51 -54.83 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.286 -176.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 95.2 m-85 -93.09 142.78 26.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.03 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.685 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 13.7 t70 -77.4 118.31 19.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 82.5 t80 -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 111.541 -173.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.442 ' HA ' HG23 ' A' ' 24' ' ' THR . 81.9 mtp -97.74 135.98 38.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.869 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -94.75 155.27 16.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.128 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -114.23 -42.84 3.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.655 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -104.13 167.82 9.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -72.45 -19.01 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.197 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.61 -30.56 67.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.543 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 30.4 mt-10 -88.8 178.4 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.63 -175.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD21 ' HG ' ' A' ' 47' ' ' LEU . 68.8 tp -137.83 130.66 29.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.815 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.442 HG23 ' HA ' ' A' ' 16' ' ' MET . 19.5 m -77.8 107.59 10.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.923 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.558 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 12.8 pt -111.24 122.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 110.869 -176.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -77.91 143.9 37.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.174 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.676 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 48.4 t -61.15 115.66 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.939 0.4 . . . . 0.0 110.592 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.19 6.47 61.53 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.742 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.65 -179.45 6.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.924 0.362 . . . . 0.0 110.65 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -113.65 120.93 42.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.667 HG21 HD12 ' A' ' 61' ' ' ILE . 29.7 m -125.58 144.5 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.245 0.545 . . . . 0.0 111.921 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.477 ' CE2' HG22 ' A' ' 48' ' ' VAL . 53.4 m-85 -92.96 130.58 38.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.362 170.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.604 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 55.5 mt -89.49 98.82 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -72.57 -64.34 0.98 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.174 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -119.39 123.27 43.72 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.864 0.364 . . . . 0.0 110.516 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.41 15.55 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.057 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -109.56 -42.78 4.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -170.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.95 -28.64 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 111.109 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -135.23 164.88 26.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.385 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.94 4.6 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.538 0.685 . . . . 0.0 109.775 173.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.23 -52.62 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.562 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -117.19 112.39 20.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.198 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.458 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 37.4 m0 -100.77 165.16 11.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.553 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.1 mtp -99.17 106.33 18.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.473 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 99.5 m -117.63 157.96 25.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.784 0.326 . . . . 0.0 110.775 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 35.2 tt0 -133.04 128.35 36.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.688 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 31' ' ' VAL . 92.3 mt -67.17 125.91 27.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.921 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.477 HG22 ' CE2' ' A' ' 32' ' ' TYR . 61.8 t -64.39 -54.25 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 -175.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -72.74 -33.35 66.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.7 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.9 t -83.58 -48.84 9.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.044 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.7 53.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.248 -177.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.49 130.65 42.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.549 0.214 . . . . 0.0 110.609 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.43 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 6.0 p -115.73 144.12 44.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.903 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.64 43.23 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 95.9 mt -84.94 133.97 34.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.88 155.75 72.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.64 126.76 22.85 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.953 2.435 . . . . 0.0 112.32 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.388 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.525 HE22 HG22 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -78.46 -10.17 59.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.369 -177.058 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 13' ' ' TYR . 2.8 m-30 -90.16 -12.81 37.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 31' ' ' VAL . 45.8 mm -108.09 122.04 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -111.26 107.2 57.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 46.3 Cg_exo -55.96 141.21 86.44 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.01 2.473 . . . . 0.0 112.85 -176.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 10' ' ' ILE . 9.1 t . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.528 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.3 ptt? . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.267 0.556 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -129.43 141.56 51.01 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.721 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -129.9 164.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -111.72 107.08 16.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.599 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -92.04 93.86 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.258 0.551 . . . . 0.0 109.832 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 24.5 ttmm -91.53 108.55 19.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.989 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.59 HG22 HD23 ' B' ' 69' ' ' LEU . 46.9 p -73.04 167.83 20.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.298 0.571 . . . . 0.0 111.765 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.97 -29.69 70.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.589 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -79.92 3.11 20.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.082 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.73 20.91 58.9 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.986 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -103.12 112.85 25.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -90.38 101.28 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.574 . . . . 0.0 110.659 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.599 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 63.1 mt -89.13 120.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.1 m -87.89 111.87 21.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.655 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -119.55 128.46 53.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.307 -173.623 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.61 112.75 24.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.353 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.655 HG13 HD12 ' B' ' 15' ' ' LEU . 12.9 m -140.45 151.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.911 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.611 ' O ' HD12 ' B' ' 56' ' ' LEU . 40.6 mt-10 -66.22 150.45 48.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -177.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 m -67.78 -17.08 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.141 0.496 . . . . 0.0 110.509 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -110.13 17.61 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.229 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -75.03 169.06 18.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.299 -177.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.541 ' O ' HG23 ' B' ' 26' ' ' VAL . 60.5 p -100.35 149.32 23.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.511 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.432 HD13 HD23 ' B' ' 56' ' ' LEU . 34.7 mm -59.88 -32.43 49.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.302 0.572 . . . . 0.0 110.107 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.679 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 25.4 t70 -62.32 -46.69 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.857 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -63.48 -41.18 98.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.445 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.564 HG22 HG11 ' B' ' 17' ' ' VAL . 15.9 t -60.95 -46.68 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.76 -42.66 89.4 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.11 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -65.67 -34.63 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.431 -177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.98 -43.52 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.714 0.292 . . . . 0.0 110.781 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.448 HD11 HG21 ' B' ' 5' ' ' VAL . 71.2 mt -66.1 -34.7 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 0.0 109.863 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.02 -47.13 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.966 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.47 -29.13 65.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.092 0.472 . . . . 0.0 111.179 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -80.7 -60.51 2.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.653 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.27 -7.69 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.837 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 32.57 66.2 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.971 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.491 HG22 ' HG3' ' B' ' 41' ' ' GLN . 61.2 mt -103.27 120.36 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.66 0.266 . . . . 0.0 110.34 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 39.2 Cg_exo -60.74 137.75 75.01 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.86 2.373 . . . . 0.0 112.5 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 39.2 Cg_exo -61.34 -23.6 77.18 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.018 2.479 . . . . 0.0 112.007 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.73 -29.39 69.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.211 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 26.1 tt0 -96.34 -34.08 11.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.797 -175.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.491 ' HG3' HG22 ' B' ' 36' ' ' ILE . 34.9 mt-30 -62.06 117.0 5.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.181 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -118.0 98.67 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.606 HD23 HD13 ' B' ' 69' ' ' LEU . 94.0 mt -77.88 112.83 15.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.35 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mt -99.58 106.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.211 0.529 . . . . 0.0 111.129 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -108.87 118.44 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.453 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.93 29.43 18.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.941 0.401 . . . . 0.0 110.959 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.685 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 82.13 14.74 76.28 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.648 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -119.19 125.34 48.97 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -79.59 119.37 22.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.139 0.495 . . . . 0.0 111.043 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' B' ' 59' ' ' TYR . 23.5 mt -93.51 137.86 32.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.154 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -127.04 170.43 12.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.679 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -67.77 167.24 13.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.252 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.71 -43.48 2.75 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -79.57 156.9 27.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 110.454 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 32.3 p -102.71 164.85 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.611 HD12 ' O ' ' B' ' 18' ' ' GLU . 70.7 mt -63.95 -27.37 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.586 177.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 28.5 t -74.65 -26.09 59.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.117 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.93 -30.64 65.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -175.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.461 ' CD2' HD22 ' B' ' 50' ' ' LEU . 71.7 m-85 -95.15 7.98 44.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 59.87 39.54 20.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.49 129.01 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.945 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -101.31 -174.77 2.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.194 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 34.2 mmtp -67.02 147.87 52.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.299 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 42.95 43.52 3.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.237 1.015 . . . . 0.0 113.439 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -86.12 146.47 26.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.984 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -98.7 103.7 15.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.234 0.54 . . . . 0.0 111.095 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.52 150.23 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.735 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.539 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 62.5 m-70 -103.82 117.7 34.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.606 HD13 HD23 ' B' ' 43' ' ' LEU . 57.5 tp -88.28 100.84 13.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.231 0.538 . . . . 0.0 110.445 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.525 HG22 HE22 ' A' ' 59' ' ' GLN . 59.9 t -95.18 136.63 25.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.471 HD12 HE21 ' B' ' 40' ' ' GLN . 3.3 mm? -96.57 130.36 43.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.263 0.554 . . . . 0.0 111.187 -173.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 62.7 ttt180 -68.12 123.61 21.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.671 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.425 ' HG ' ' H ' ' B' ' 73' ' ' LEU . 1.8 pp . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.815 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -111.13 145.71 38.13 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.2 147.04 18.96 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.462 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.473 HG13 HG22 ' A' ' 64' ' ' VAL . 75.7 mt -111.69 107.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 25' ' ' ILE . 3.2 p -71.3 128.89 34.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.132 0.492 . . . . 0.0 110.78 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -95.84 -17.22 21.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.793 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 60' ' ' PHE . 94.9 m-85 -110.73 175.75 5.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.367 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -113.39 115.74 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 86.7 t80 -124.2 104.61 8.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.061 0.458 . . . . 0.0 110.668 -177.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.651 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.8 mpp? -88.11 116.08 26.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.736 175.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -65.44 135.45 55.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.817 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -94.89 -42.89 8.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -97.79 168.58 10.23 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.136 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -77.81 -20.09 53.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.25 -12.94 57.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.091 0.472 . . . . 0.0 110.862 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 41.8 mt-10 -91.35 161.78 14.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 37.8 tp -118.59 126.66 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 0.0 110.779 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.651 HG23 ' HA ' ' A' ' 16' ' ' MET . 30.7 m -75.2 111.62 10.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 11' ' ' VAL . 12.5 pt -122.96 132.69 70.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.494 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 1.7 mppt? -109.85 147.58 33.07 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 p -52.71 118.47 3.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 0.0 111.619 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.65 30.83 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.732 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -67.43 131.88 46.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.015 0.436 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HB3' HG11 ' A' ' 48' ' ' VAL . 3.4 tppt? -82.77 124.34 30.17 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 171.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 HD23 ' A' ' 47' ' ' LEU . 16.2 m -124.81 144.11 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.1 0.476 . . . . 0.0 111.346 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.6 112.16 23.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.05 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.646 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 41.5 mt -82.95 104.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.971 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.84 -50.28 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.609 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.541 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 12.1 t70 -117.21 116.95 28.27 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.7 p-10 -131.85 2.18 4.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.315 1.01 . . . . 0.0 110.672 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -114.18 -37.89 4.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -75.67 -31.18 59.65 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.195 -174.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -113.84 152.89 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -125.1 11.98 8.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.95 -52.82 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.947 -175.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -124.62 121.39 34.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.053 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -102.44 163.74 12.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.747 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.541 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 33.1 mtp -101.94 112.79 25.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.538 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 88.5 m -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.073 0.463 . . . . 0.0 111.058 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 59.1 tt0 -117.55 128.7 55.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.711 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.54 HD23 HG12 ' A' ' 31' ' ' VAL . 96.4 mt -67.75 116.27 8.25 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 30' ' ' LYS . 10.3 p -67.2 -30.38 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.866 0.841 . . . . 0.0 110.04 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.79 -42.15 41.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.806 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 m -95.46 -39.39 10.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.94 48.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.01 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -87.78 147.43 25.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.5 m -112.56 147.1 37.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.832 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -162.25 177.85 38.27 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.508 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.35 134.15 34.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.6 m -136.27 151.0 72.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.14 124.48 14.93 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.872 2.381 . . . . 0.0 112.062 176.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.88 -36.08 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.726 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.67 -28.56 68.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.531 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.438 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 5.0 m-30 -84.29 -20.46 32.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 111.358 -172.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.8 mm -92.57 127.6 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -176.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -102.54 106.5 49.63 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.79 131.12 31.85 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.754 2.303 . . . . 0.0 112.491 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.473 HG22 HG13 ' A' ' 10' ' ' ILE . 14.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 122.051 0.929 . . . . 0.0 109.857 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.475 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 14.4 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.158 0.504 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.48 141.66 48.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.041 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.81 162.39 35.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.32 106.58 14.77 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.643 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.0 p -92.68 104.59 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.781 0.801 . . . . 0.0 110.086 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 52.1 tttm -99.98 112.87 25.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.412 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.586 HG22 HD23 ' B' ' 69' ' ' LEU . 68.8 p -69.82 169.12 13.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.136 0.493 . . . . 0.0 111.243 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.443 HD23 HG13 ' B' ' 70' ' ' VAL . 1.3 pp -72.48 -12.22 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.699 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -89.19 -19.52 25.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.332 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.32 9.45 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.655 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -94.51 103.2 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.928 0.394 . . . . 0.0 109.948 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 25.7 m -95.4 107.28 19.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.643 ' HB ' HG13 ' B' ' 5' ' ' VAL . 35.3 mt -97.8 130.0 47.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.3 m -82.26 111.03 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -114.46 121.57 43.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.668 -174.681 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -94.86 111.05 22.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.239 0.542 . . . . 0.0 110.365 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.616 HG11 HG22 ' B' ' 26' ' ' VAL . 2.8 m -141.81 140.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.696 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.405 ' O ' HD12 ' B' ' 56' ' ' LEU . 36.5 mm-40 -87.26 161.74 17.82 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -175.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -60.18 -22.46 62.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.125 0.488 . . . . 0.0 111.264 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.0 p -91.18 -5.56 54.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.758 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.05 152.42 27.89 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.27 0.557 . . . . 0.0 111.003 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.4 p -86.37 163.08 17.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.706 -178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.433 HG13 ' HE2' ' B' ' 59' ' ' TYR . 47.4 mm -65.24 -29.62 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.04 -48.86 77.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.463 174.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.857 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.616 HG22 HG11 ' B' ' 17' ' ' VAL . 9.0 t -60.48 -46.85 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.426 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 89.6 mttt -59.24 -39.09 81.68 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.921 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.4 m -61.64 -41.88 98.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.734 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.536 ' HB2' HD11 ' B' ' 15' ' ' LEU . 98.6 mttt -71.67 -29.89 65.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.996 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 26' ' ' VAL . 71.9 mt -72.59 -37.7 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.054 0.454 . . . . 0.0 109.956 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.74 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.408 0.623 . . . . 0.0 109.53 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.82 -32.98 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.684 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -77.69 -69.45 0.54 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.661 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -92.35 -21.54 20.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.78 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.07 41.42 7.54 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.611 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.16 127.42 28.34 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.6 Cg_endo -56.89 127.14 24.63 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.619 2.212 . . . . 0.0 111.964 177.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 48.9 Cg_exo -57.89 -33.33 96.91 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.267 2.644 . . . . 0.0 112.321 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.36 -35.29 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.61 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.548 ' NE2' HD13 ' B' ' 71' ' ' LEU . 22.8 tt0 -87.52 -18.39 29.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.208 -173.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 65.3 mt-30 -78.88 116.91 19.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.747 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -118.65 108.49 14.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.416 ' N ' HD12 ' B' ' 43' ' ' LEU . 5.9 mp -89.52 108.26 19.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 -174.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.658 HG12 ' HG2' ' B' ' 49' ' ' GLN . 62.8 mt -99.41 117.62 44.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.098 0.475 . . . . 0.0 110.378 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 76.0 t80 -126.59 110.89 13.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.548 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 37.58 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.852 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.78 -8.83 79.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.834 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -98.13 125.26 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.913 0.387 . . . . 0.0 110.458 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.658 ' HG2' HG12 ' B' ' 44' ' ' ILE . 50.0 mt-30 -94.8 113.46 25.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.125 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.82 126.55 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.639 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -123.67 167.84 13.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.999 0.428 . . . . 0.0 110.731 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -70.08 152.12 44.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.0 7.03 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -101.28 164.75 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 60.9 p -105.56 179.91 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.405 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -68.27 -23.22 64.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 109.827 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -75.64 -37.13 59.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.237 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.72 -45.96 85.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.432 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.433 ' HE2' HG13 ' B' ' 23' ' ' ILE . 72.0 m-85 -86.49 -13.93 44.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 64.89 68.5 0.51 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.246 0.546 . . . . 0.0 110.791 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -103.71 145.42 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.583 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -106.0 166.89 10.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.795 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.475 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 20.1 pttp -80.72 155.8 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 60.1 29.35 18.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.969 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.482 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 19.4 p -89.36 156.65 18.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.403 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.1 m -106.16 103.21 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 111.218 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.435 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.1 mp -89.64 153.08 21.02 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 79.8 m-70 -112.03 116.52 30.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.586 HD23 HG22 ' B' ' 7' ' ' THR . 43.2 tp -86.62 107.86 18.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 0.0 110.602 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.479 HG21 HD12 ' B' ' 44' ' ' ILE . 57.8 t -106.0 122.14 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.548 HD13 ' NE2' ' B' ' 40' ' ' GLN . 34.3 mt -89.63 147.89 23.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.905 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -88.77 -10.73 47.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.131 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 CA--C 1.532 0.274 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.674 177.055 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.703 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 68.0 mttm . . . . . 0 CA--C 1.518 -0.285 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -106.71 134.86 49.22 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.99 137.3 9.14 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.547 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.421 HG13 ' CG2' ' A' ' 64' ' ' VAL . 63.8 mt -111.68 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 11' ' ' VAL . 2.7 p -69.59 126.86 30.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.287 0.565 . . . . 0.0 111.031 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -85.46 -53.6 5.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.973 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-85 -85.08 -169.62 2.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -105.45 144.1 32.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 72.0 t80 -140.82 124.48 16.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 176.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.9 mmt -106.69 128.92 54.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.22 119.56 19.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -90.75 -33.16 15.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.906 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 t -112.15 169.42 8.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -75.72 -13.27 60.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.221 0.534 . . . . 0.0 110.373 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -72.33 -37.65 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.039 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 4.7 mp0 -78.79 -178.3 5.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.448 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.616 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 34.3 tp -140.66 129.85 23.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.295 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 m -73.25 107.91 5.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.241 0.543 . . . . 0.0 110.803 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 20.8 pt -122.15 120.87 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.02 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.2 154.08 18.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.279 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.0 t -57.83 115.91 3.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.6 1.54 29.14 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.305 -176.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.48 171.65 14.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.021 0.439 . . . . 0.0 110.549 177.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.7 tttt -130.37 116.5 18.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.312 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.641 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 16.0 m -128.17 144.3 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.361 -174.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CE2' HG22 ' A' ' 48' ' ' VAL . 56.2 m-85 -95.06 135.2 36.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.385 170.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 48.7 mt -93.0 111.61 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.54 HD11 HE21 ' A' ' 46' ' ' GLN . 81.3 mt -81.9 -54.39 5.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.336 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.932 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.9 m-20 -120.63 106.43 11.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.59 -20.45 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.951 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.96 18.81 14.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.195 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.932 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 53.2 tttm -62.28 -45.6 92.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -125.0 -81.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.092 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -175.79 -54.67 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.921 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -97.21 -48.15 5.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.082 0.468 . . . . 0.0 110.202 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -71.96 109.61 5.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.202 0.525 . . . . 0.0 110.571 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 49.6 m0 -108.5 158.12 17.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.281 -176.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.424 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 41.1 mtp -98.52 100.4 11.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.641 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.5 p -99.62 150.62 22.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.54 HE21 HD11 ' A' ' 34' ' ' LEU . 8.9 tt0 -127.54 125.22 39.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.105 178.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.558 ' HG ' HD21 ' A' ' 23' ' ' LEU . 82.7 mt -66.14 127.89 33.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.275 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 30' ' ' LYS . 38.9 t -63.48 -31.18 51.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.743 -174.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.64 -63.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -109.93 -13.59 14.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 111.634 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.19 35.35 9.73 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.0 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HB2' HD12 ' A' ' 47' ' ' LEU . 66.3 mttm -87.17 120.0 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -111.56 150.52 29.9 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.798 0.332 . . . . 0.0 110.955 -176.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.616 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -168.96 169.19 41.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.898 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.2 mm? -82.17 128.48 34.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.839 0.352 . . . . 0.0 110.773 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.23 149.62 61.5 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.01 139.63 80.09 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.272 2.648 . . . . 0.0 113.366 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.47 62.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.625 0.726 . . . . 0.0 109.262 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -63.22 -16.54 60.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.73 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.43 ' HD1' ' CD1' ' A' ' 13' ' ' TYR . 22.0 m-85 -114.65 -15.17 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.536 -177.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -175.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -92.24 113.0 57.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.58 120.9 8.78 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.577 2.185 . . . . 0.0 111.102 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.421 ' CG2' HG13 ' A' ' 10' ' ' ILE . 48.9 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -176.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.688 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.087 0.47 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -116.5 146.73 42.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.554 ' HB ' HD13 ' B' ' 67' ' ' LEU . 26.1 pt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 173.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -88.97 94.65 10.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.107 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.51 100.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.488 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -89.73 108.59 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.924 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.564 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.5 p -75.81 167.99 20.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.202 -173.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 8' ' ' LEU . 4.5 tt -58.86 -33.7 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.552 174.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -76.1 -3.45 36.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.759 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.48 25.17 40.17 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.654 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -99.57 129.86 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -96.0 90.38 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.098 0.475 . . . . 0.0 109.841 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 mm -95.04 108.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.248 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -76.16 111.72 11.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.429 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.0 129.7 43.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -90.69 100.89 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.321 0.581 . . . . 0.0 109.452 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.47 163.52 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.885 -176.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -113.04 161.88 16.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -68.38 -18.06 64.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -94.08 -2.88 52.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.67 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.7 158.21 28.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.741 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 22.3 p -92.81 161.89 14.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.647 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -62.69 -30.13 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.66 -49.35 75.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.967 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.501 ' O ' HG13 ' B' ' 30' ' ' ILE . 19.3 t -60.65 -46.11 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 83.9 mttt -58.95 -41.44 87.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -67.22 -36.81 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.739 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -64.91 -40.58 95.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.015 0.435 . . . . 0.0 110.674 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 26' ' ' VAL . 52.7 mt -69.26 -36.97 75.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.086 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.3 tt0 -68.17 -31.62 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.137 0.494 . . . . 0.0 110.501 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.78 -41.57 83.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -87.12 -49.5 7.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.28 -48.85 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.444 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 99.2 41.54 2.99 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.613 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.542 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 49.9 mt -112.42 135.85 21.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.7 Cg_endo -53.17 128.67 30.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.905 2.403 . . . . 0.0 112.502 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.7 Cg_exo -58.73 -37.69 92.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.29 2.66 . . . . 0.0 113.611 -174.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.9 -30.13 68.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 0.0 110.431 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.416 HE21 HD12 ' B' ' 71' ' ' LEU . 22.8 tt0 -79.82 -34.82 39.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.061 177.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.542 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 26.9 mt-30 -68.09 99.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 177.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -112.12 108.8 18.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.354 0.597 . . . . 0.0 110.427 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 85.4 mt -78.97 146.93 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.325 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -130.61 120.67 48.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -107.67 103.53 12.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.536 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.04 17.37 6.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.573 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.99 -16.7 13.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.071 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.21 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -67.27 143.25 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.93 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 27.3 mt -115.32 103.55 10.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.725 0.298 . . . . 0.0 110.955 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.28 154.54 19.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.647 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.8 p-10 -78.17 164.68 24.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 177.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.98 -10.34 60.27 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.392 -174.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.603 ' HD2' ' OH ' ' B' ' 59' ' ' TYR . 50.4 mtt180 -126.63 173.05 9.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.741 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 52.1 p -103.08 176.09 5.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.698 0.285 . . . . 0.0 110.968 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.96 -29.68 70.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 110.046 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -71.78 -22.55 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -73.75 -6.71 48.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.303 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.603 ' OH ' ' HD2' ' B' ' 54' ' ' ARG . 93.0 m-85 -123.77 13.49 9.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -177.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 65.07 21.23 12.2 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.239 0.542 . . . . 0.0 111.025 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.75 133.84 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -108.86 -177.96 3.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.41 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.688 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 96.9 mttt -73.35 147.18 44.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.826 -175.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 63.41 28.92 15.6 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.132 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.1 m -78.52 152.07 32.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.746 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 84.8 m -104.29 124.31 48.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.183 175.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.554 HD13 ' HB ' ' B' ' 3' ' ' ILE . 6.8 mp -120.56 169.93 9.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.963 0.411 . . . . 0.0 110.652 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -122.06 138.65 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.004 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.564 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 58.3 tp -106.47 102.16 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.873 0.368 . . . . 0.0 110.366 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.6 t -102.59 129.75 53.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.5 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.416 HD12 HE21 ' B' ' 40' ' ' GLN . 2.9 mm? -83.23 127.86 34.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.145 0.498 . . . . 0.0 110.598 -176.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -70.27 133.14 46.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.477 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 121.061 0.458 . . . . 0.0 110.803 179.005 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 46.8 mttm . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.401 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 84.3 mtm180 -135.59 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.884 0.373 . . . . 0.0 111.07 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.86 174.07 32.44 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.579 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.1 mt -127.99 129.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.427 HG21 HD12 ' A' ' 25' ' ' ILE . 2.5 p -87.01 127.15 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 0.0 111.006 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -102.46 -37.06 8.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.741 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.2 136.52 46.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.74 -176.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.45 138.94 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.185 177.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.449 ' HB3' HG12 ' A' ' 25' ' ' ILE . 82.2 t80 -140.88 139.48 34.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.002 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.409 ' HA ' HG23 ' A' ' 24' ' ' THR . 78.2 mtp -115.2 131.4 56.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.506 -176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.87 -39.78 10.06 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 m -102.77 158.68 16.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.326 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -70.06 -17.96 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 -177.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HB3' HD12 ' A' ' 55' ' ' LEU . 22.4 m-20 -74.65 -23.01 58.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.145 0.497 . . . . 0.0 110.371 177.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 42' ' ' TRP . 56.0 mt-10 -85.98 161.96 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.035 -173.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD21 ' HG ' ' A' ' 47' ' ' LEU . 55.2 tp -126.17 122.71 36.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.94 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 16' ' ' MET . 84.9 m -70.28 121.95 18.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.368 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 15' ' ' PHE . 16.6 pt -127.34 144.24 37.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.523 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -105.18 144.4 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.152 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -66.84 138.5 57.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.246 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.28 -0.04 61.67 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.876 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -91.23 158.13 16.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.192 0.52 . . . . 0.0 111.355 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 48' ' ' VAL . 12.6 mmmm -97.42 135.75 38.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.367 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.599 HG12 HD23 ' A' ' 47' ' ' LEU . 28.6 m -132.09 146.35 33.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.582 ' HB2' ' HB3' ' A' ' 46' ' ' GLN . 80.7 m-85 -91.17 154.78 19.09 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 36' ' ' ASP . 52.3 mt -115.22 121.37 67.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 121.094 0.473 . . . . 0.0 110.134 178.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 52.5 mt -80.11 -56.3 4.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.531 ' H ' ' HB2' ' A' ' 44' ' ' MET . 27.7 m-20 -132.66 123.15 25.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.331 176.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.608 ' HB3' HG21 ' A' ' 33' ' ' ILE . 9.1 p-10 -112.91 -7.6 13.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.494 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 12.7 ptpt -130.04 8.64 5.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.88 -28.43 49.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 p -148.26 151.91 36.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.132 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -99.66 -21.41 15.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.659 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.554 ' HB3' HD13 ' B' ' 8' ' ' LEU . 5.8 m-20 -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.768 -172.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 22' ' ' GLU . 37.4 m95 -123.61 143.55 50.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.457 -0.792 . . . . 0.0 108.952 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CZ3' ' HG3' ' A' ' 63' ' ' PRO . 43.1 m0 -113.57 159.84 19.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 0.0 111.488 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.531 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 67.7 mmm -92.65 97.18 10.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.302 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -105.65 146.23 29.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.321 0.582 . . . . 0.0 111.794 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 38.0 tt0 -121.46 118.85 30.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.947 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.599 HD23 HG12 ' A' ' 31' ' ' VAL . 95.8 mt -70.44 118.2 12.95 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 30' ' ' LYS . 8.8 p -63.56 -36.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.603 0.716 . . . . 0.0 110.103 176.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.18 -60.35 3.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.517 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.9 m -104.66 -38.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.79 17.98 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.835 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.33 141.01 58.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 111.216 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -125.49 156.53 38.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.46 -173.33 45.73 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.538 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.402 HD12 ' HB3' ' A' ' 21' ' ' ASP . 87.5 mt -88.1 127.66 35.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 110.834 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.13 153.79 81.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.807 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.5 123.75 13.71 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.447 2.098 . . . . 0.0 111.704 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -31.89 64.61 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 59' ' ' GLN . 8.1 tt0 -78.34 -6.71 55.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.681 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -93.23 -4.24 52.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.167 -0.333 . . . . 0.0 110.904 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mm -121.15 133.76 66.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.253 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -95.65 109.83 47.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 167.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.1 Cg_exo -76.39 115.77 4.17 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.214 1.942 . . . . 0.0 110.674 177.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.1 p . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 122.273 1.035 . . . . 0.0 110.206 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.577 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 17.3 ptt? . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -112.93 123.98 51.57 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.411 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.438 ' HB ' HD13 ' B' ' 67' ' ' LEU . 35.5 pt -117.42 146.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.54 173.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -95.38 102.88 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.364 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.9 t -94.6 108.52 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.718 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.91 111.28 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.504 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.622 HG22 HD23 ' B' ' 69' ' ' LEU . 47.4 p -77.02 165.01 25.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.893 HD11 ' H ' ' B' ' 71' ' ' LEU . 49.0 mt -51.42 -34.8 36.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 111.471 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -83.67 2.04 39.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.927 -172.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.33 0.33 61.38 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.772 -0.727 . . . . 0.0 113.063 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -71.38 111.82 7.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.7 m -95.0 95.16 8.42 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 mt -100.77 113.08 35.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.112 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -76.07 111.59 11.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.45 131.68 54.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -81.87 105.0 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.521 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.06 141.99 43.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.312 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.562 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.4 OUTLIER -92.22 154.81 18.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.9 p -64.94 -26.62 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.257 0.551 . . . . 0.0 110.325 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.3 m -85.68 0.18 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.537 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.0 m-20 -79.5 152.69 30.06 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 53.7 p -91.58 159.98 15.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.763 174.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.594 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.4 mm -61.43 -29.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 172.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.95 -47.93 83.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.283 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.679 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.4 t30 -69.97 -36.28 75.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.32 -177.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -60.59 -40.69 85.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 86.0 mttt -61.29 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.365 178.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.9 p -73.17 -26.75 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.253 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.5 mttm -62.22 -49.0 77.49 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.6 mt -71.57 -35.41 56.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.548 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 24.1 tm0? -62.73 -29.36 70.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.077 0.465 . . . . 0.0 109.941 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.05 -52.18 7.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.968 176.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -64.94 -53.5 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.762 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -100.88 -40.46 7.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.787 0.327 . . . . 0.0 111.206 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 102.04 40.77 2.58 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.689 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.518 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 27.6 mt -106.7 122.81 40.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 122.698 -0.295 . . . . 0.0 110.28 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.3 Cg_endo -51.35 128.72 26.51 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.496 2.797 . . . . 0.0 112.9 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HG3' ' B' ' 31' ' ' GLN . 38.9 Cg_exo -61.64 -34.64 83.84 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.37 2.713 . . . . 0.0 113.202 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.94 -28.26 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 0.0 110.229 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 27.8 tt0 -78.98 -36.02 42.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.57 ' HB3' HD11 ' B' ' 69' ' ' LEU . 27.5 mt-30 -70.02 116.51 10.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.121 -176.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 70.6 mtp180 -118.15 111.14 18.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.817 173.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -87.17 132.83 33.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.403 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.18 121.58 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 110.266 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -128.76 112.73 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.624 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 39.48 27.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.658 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.48 -4.78 80.59 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.515 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.12 112.98 25.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.707 0.289 . . . . 0.0 110.471 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.461 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.9 mp0 -72.42 115.05 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 67.6 mt -84.59 106.12 15.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.346 0.593 . . . . 0.0 111.617 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -77.13 141.12 40.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.225 174.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.594 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.4 p30 -85.71 150.18 24.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.08 -4.37 30.2 Favored Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -167.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -122.14 165.79 15.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 75.2 p -101.65 168.32 9.55 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.25 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.6 t -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.739 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.13 -42.23 84.78 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.978 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -89.45 -13.54 37.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 60.28 76.96 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.678 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.4 132.22 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.593 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.44 177.66 6.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.17 0.51 . . . . 0.0 111.035 -175.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.577 ' HG3' ' HB2' ' B' ' 1' ' ' MET . 25.0 ttpp -86.1 152.16 23.09 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 172.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 72.29 8.05 5.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.507 0.504 . . . . 0.0 110.761 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 56.2 m -79.17 143.22 35.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 0.0 111.06 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 33.2 m -101.93 117.63 35.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.88 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.438 HD13 ' HB ' ' B' ' 3' ' ' ILE . 6.9 mp -108.35 147.33 31.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.562 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -111.85 127.82 55.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.622 HD23 HG22 ' B' ' 7' ' ' THR . 43.3 tp -100.53 103.66 15.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.1 0.476 . . . . 0.0 110.945 -175.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.623 HG13 HD21 ' B' ' 8' ' ' LEU . 23.1 t -98.31 127.99 50.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.09 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.893 ' H ' HD11 ' B' ' 8' ' ' LEU . 87.6 mt -101.15 134.38 44.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.154 0.502 . . . . 0.0 111.523 -172.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 37.9 ttt180 -67.51 139.88 57.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.879 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.373 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 92.8 mttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -109.88 128.37 55.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.469 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -136.25 162.26 25.04 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.478 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.7 mt -126.45 133.02 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.613 HG21 HD12 ' A' ' 25' ' ' ILE . 3.4 p -82.7 136.68 22.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -99.4 -25.87 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.103 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -125.96 146.74 49.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.618 0.247 . . . . 0.0 111.052 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.95 128.95 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 87.1 t80 -127.54 110.42 12.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.136 0.493 . . . . 0.0 110.071 177.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.645 ' HA ' HG23 ' A' ' 24' ' ' THR . 82.5 mtp -93.34 118.14 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.879 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -70.64 140.39 51.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.208 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.24 -19.87 16.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.1 p -123.06 173.24 7.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -72.97 -25.12 60.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.537 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB3' HD12 ' A' ' 55' ' ' LEU . 2.1 m-20 -65.78 -38.93 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.323 0.582 . . . . 0.0 110.842 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.654 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 16.3 mt-10 -82.12 156.74 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.773 -175.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD21 ' HG ' ' A' ' 47' ' ' LEU . 59.7 tp -107.99 119.15 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.645 HG23 ' HA ' ' A' ' 16' ' ' MET . 36.0 m -70.64 113.44 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 177.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.613 HD12 HG21 ' A' ' 11' ' ' VAL . 9.2 pt -119.17 149.72 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.326 -174.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -116.29 145.33 43.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.761 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -56.29 117.96 4.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.898 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -12.57 31.11 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.438 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.6 138.83 55.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.618 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -91.83 133.1 35.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.237 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.673 HG21 HD12 ' A' ' 61' ' ' ILE . 8.2 m -129.16 140.26 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.16 0.505 . . . . 0.0 111.447 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 28.5 m-85 -89.07 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.335 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.1 mt -91.59 113.2 26.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.942 0.401 . . . . 0.0 110.047 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 3.3 mm? -82.99 -59.67 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.131 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.477 ' H ' ' HB2' ' A' ' 44' ' ' MET . 8.7 t70 -129.67 119.21 23.16 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.426 177.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.526 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 11.8 p-10 -118.79 18.78 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.177 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -111.51 -30.11 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.834 -170.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 35' ' ' ASP . 45.7 mmtm -70.51 -34.58 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.091 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -147.48 166.8 26.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.033 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.672 ' HD3' ' H ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -122.74 8.69 9.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.519 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.516 ' HA ' HD22 ' B' ' 8' ' ' LEU . 9.9 m-20 -102.85 -52.58 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.692 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -124.13 137.14 54.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.686 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 27.3 m0 -120.95 162.11 20.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.475 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.585 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 80.4 mmm -90.93 121.24 32.59 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 173.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.464 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 90.6 m -134.47 155.38 50.45 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.739 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -127.56 130.36 48.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.052 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.477 HD21 HG22 ' A' ' 25' ' ' ILE . 96.2 mt -66.43 114.02 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 32' ' ' TYR . 68.8 t -58.26 -30.82 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 0.0 110.796 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.41 -53.27 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.969 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -96.57 -40.38 9.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.72 -3.93 36.55 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.58 145.59 38.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.563 0.221 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 t -127.89 165.72 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.79 0.329 . . . . 0.0 110.249 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.59 -171.73 44.21 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' ' 21' ' ' ASP . 77.6 mt -87.03 129.7 34.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.324 . . . . 0.0 110.896 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 30.7 m -134.69 147.56 63.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 19.0 Cg_exo -66.9 126.43 15.25 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.641 2.227 . . . . 0.0 111.695 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.32 -15.47 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.29 -174.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.819 HE21 ' HG ' ' B' ' 8' ' ' LEU . 11.3 pt20 -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.254 -177.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -110.86 -9.53 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.309 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 31' ' ' VAL . 49.3 mm -101.13 114.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -108.79 106.06 58.12 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 22.7 Cg_exo -65.51 131.92 29.45 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.61 2.207 . . . . 0.0 111.423 175.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.691 -175.76 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.674 0.749 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -97.05 125.58 41.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.009 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -117.53 152.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -104.21 98.3 8.13 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.467 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -86.22 106.2 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.749 0.785 . . . . 0.0 110.137 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -93.34 106.64 18.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.478 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.567 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 63.3 p -74.79 170.1 16.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.819 ' HG ' HE21 ' A' ' 59' ' ' GLN . 2.4 tt -61.56 -30.05 70.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.204 177.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.8 p -81.31 -2.15 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.756 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.87 1.16 73.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.519 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -75.74 113.37 13.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -100.94 105.22 16.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.015 0.436 . . . . 0.0 110.114 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.467 ' HB ' HG13 ' B' ' 5' ' ' VAL . 53.3 mt -99.35 135.04 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 -176.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -82.77 111.45 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.567 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.06 126.04 52.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -91.53 104.62 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.19 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.567 HG13 HD12 ' B' ' 15' ' ' LEU . 31.2 m -134.9 154.7 37.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.656 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.42 156.33 23.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.629 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 12.9 m -66.25 -23.96 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.399 . . . . 0.0 111.34 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -82.27 -0.48 45.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.931 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -99.4 164.18 12.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.679 0.276 . . . . 0.0 110.543 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -91.05 164.06 14.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.503 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.421 HD12 HD23 ' B' ' 50' ' ' LEU . 49.9 mm -65.37 -29.58 47.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.276 0.56 . . . . 0.0 109.694 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 11.2 t70 -64.04 -41.55 97.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.421 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.673 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 23.9 t-20 -62.8 -42.49 99.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.796 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.515 ' O ' HG13 ' B' ' 30' ' ' ILE . 63.5 t -58.68 -42.11 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.405 174.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 91.2 mttt -53.77 -47.61 70.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.153 177.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -65.98 -34.91 79.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.989 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.673 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.4 mttm -67.89 -29.75 68.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.675 0.274 . . . . 0.0 110.976 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.515 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -75.69 -41.6 40.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.756 0.312 . . . . 0.0 110.21 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.432 ' HG3' ' HA2' ' B' ' 35' ' ' GLY . 32.5 tt0 -63.7 -34.75 78.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 109.892 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.7 -30.23 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 44.1 mmtm -91.02 -69.37 0.74 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.719 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.95 -48.36 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.33 -171.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.432 ' HA2' ' HG3' ' B' ' 31' ' ' GLN . . . 118.82 -3.6 14.73 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.516 175.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.01 129.01 91.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.795 0.298 . . . . 0.0 110.794 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -56.06 132.98 55.22 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.088 2.525 . . . . 0.0 113.026 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -60.45 -26.87 83.74 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.481 2.787 . . . . 0.0 112.792 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.6 -27.28 67.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.421 0.629 . . . . 0.0 110.34 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -96.31 -29.28 14.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.486 ' HB3' HD11 ' B' ' 69' ' ' LEU . 26.0 mt-30 -72.93 117.81 15.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.782 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.616 ' HD2' ' HB2' ' B' ' 72' ' ' ARG . 74.4 mtp180 -121.4 126.24 48.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 6.4 mp -97.24 138.59 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -178.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -125.27 125.47 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.479 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -128.74 111.08 12.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.173 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 16.96 9.58 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.81 -15.51 44.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.588 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.0 ttmm -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -91.51 124.2 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.881 0.372 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.3 mp -93.92 110.7 22.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.524 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -99.77 168.18 10.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.562 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 1.3 p30 -79.2 19.93 0.54 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.165 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.5 0.03 30.88 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.131 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.521 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 72.3 mtt-85 -137.37 174.25 10.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.118 0.459 . . . . 0.0 111.141 -178.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.4 p -102.49 179.18 4.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.654 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.0 mp -66.13 -31.44 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 110.516 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 t -68.21 -31.7 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.626 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.06 -37.14 86.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.588 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 97.8 m-85 -95.66 2.04 53.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.9 m120 57.69 40.35 26.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.277 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.416 HD12 ' HG ' ' B' ' 56' ' ' LEU . 81.3 mt -69.61 124.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.217 -177.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -83.43 165.91 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.727 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -74.77 142.51 44.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.286 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 62.21 30.95 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.779 0.674 . . . . 0.0 111.196 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 p -85.92 155.56 20.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -101.41 103.65 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.233 0.54 . . . . 0.0 110.908 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.401 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.5 mp -93.71 144.13 25.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.499 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -97.85 125.28 42.65 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.567 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 44.2 tp -99.98 110.08 22.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.088 0.47 . . . . 0.0 110.367 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.413 HG22 ' NE2' ' A' ' 59' ' ' GLN . 40.4 t -111.5 136.27 48.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.721 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.69 143.13 29.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.032 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.616 ' HB2' ' HD2' ' B' ' 42' ' ' ARG . 32.2 ttm180 -82.84 -3.0 56.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 175.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.898 178.214 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.578 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 67.2 mttt . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -117.99 150.5 39.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.288 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.92 159.13 28.31 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.175 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -124.16 125.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -79.0 126.96 39.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.766 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -100.28 -23.86 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.961 -175.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -123.46 134.23 53.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.52 137.01 58.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.243 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.551 ' HB3' HG12 ' A' ' 25' ' ' ILE . 54.6 t80 -130.73 109.04 10.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.997 0.427 . . . . 0.0 111.101 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.438 ' HA ' HG23 ' A' ' 24' ' ' THR . 26.5 mmt -86.56 126.97 34.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.768 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -78.55 122.91 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 111.391 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HB2' ' NE2' ' B' ' 49' ' ' GLN . 10.9 tp10 -88.82 -50.03 6.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 t -93.18 164.35 13.28 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -77.58 -7.32 56.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.995 0.426 . . . . 0.0 111.095 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.24 -27.37 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.37 0.605 . . . . 0.0 109.758 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 35.9 mt-10 -79.68 153.02 29.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.021 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.636 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 47.3 tp -105.72 121.46 44.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 ' HA ' ' A' ' 16' ' ' MET . 4.1 m -76.78 107.1 8.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.892 0.377 . . . . 0.0 110.209 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.551 HG12 ' HB3' ' A' ' 15' ' ' PHE . 14.5 pt -123.78 155.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.467 -173.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -115.91 150.2 37.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.557 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 t -61.68 123.06 16.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.93 -6.17 37.17 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.868 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.64 155.45 31.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.277 0.561 . . . . 0.0 111.132 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB3' HG11 ' A' ' 48' ' ' VAL . 3.6 tmtp? -104.16 129.67 51.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.393 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.522 HG12 HD23 ' A' ' 47' ' ' LEU . 27.7 m -134.49 163.67 36.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.375 0.607 . . . . 0.0 112.053 -177.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.767 ' CE2' HG23 ' A' ' 48' ' ' VAL . 24.8 m-85 -100.84 146.12 27.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.0 mt -103.12 126.24 57.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.8 mm? -98.16 -74.16 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.246 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 14.4 t0 -105.58 112.48 25.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.606 -177.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -122.0 -58.17 1.74 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -66.07 -7.86 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -171.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -77.87 -19.96 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -151.17 167.54 27.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -120.54 13.71 11.77 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.538 ' HB3' HD13 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -114.87 -68.16 0.94 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.054 -170.535 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.523 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 60.0 m95 -118.35 134.48 55.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.206 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -119.25 154.48 33.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.968 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.446 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 41.0 mtp -95.9 124.67 40.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.4 m -132.21 157.95 43.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.103 0.477 . . . . 0.0 111.046 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 35.3 tt0 -132.03 133.94 44.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.173 -177.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.522 HD23 HG12 ' A' ' 31' ' ' VAL . 97.1 mt -59.84 119.36 7.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.767 HG23 ' CE2' ' A' ' 32' ' ' TYR . 14.0 p -50.07 -49.6 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.951 0.782 . . . . 0.0 113.083 -167.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 48' ' ' VAL . 3.7 p-10 -90.34 -35.43 15.24 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.357 -175.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 m -78.06 -43.36 29.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -170.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.74 -9.56 56.99 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.544 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HB2' HD12 ' A' ' 47' ' ' LEU . 96.2 mttt -67.48 119.37 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.5 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -116.79 141.63 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.357 -177.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.636 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -161.95 -175.78 33.34 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.167 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 28.2 tp -100.43 128.49 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.495 HG11 HD13 ' A' ' 25' ' ' ILE . 29.8 m -135.12 158.13 75.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.939 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.33 134.74 37.24 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.628 2.218 . . . . 0.0 111.946 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.75 73.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.975 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.58 HE21 HD23 ' B' ' 8' ' ' LEU . 9.8 pt20 -80.56 3.45 21.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.103 -176.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.87 -20.22 16.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.069 0.461 . . . . 0.0 110.181 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -107.77 126.96 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.376 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 12.6 tp10 -103.76 106.02 50.61 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 62' ' ' GLU . 14.9 Cg_exo -68.34 120.6 7.55 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.239 2.626 . . . . 0.0 113.027 -174.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 64' ' ' VAL . 5.6 p . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.997 0.903 . . . . 0.0 109.735 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.643 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 21.0 ptt? . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.683 0.754 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.454 ' HB2' ' OE1' ' B' ' 64' ' ' GLU . 20.7 mt-30 -107.06 120.47 42.18 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.407 -1.27 . . . . 0.0 111.299 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.667 ' HB ' HD13 ' B' ' 67' ' ' LEU . 43.2 pt -120.48 133.18 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 169.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 92.6 m-85 -90.87 102.29 15.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.025 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.6 t -83.01 105.8 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -102.34 110.35 22.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.913 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.655 HG22 HD23 ' B' ' 69' ' ' LEU . 47.0 p -82.71 174.28 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.15 0.5 . . . . 0.0 111.969 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.813 HD11 ' H ' ' B' ' 71' ' ' LEU . 30.8 mt -60.76 -34.37 74.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.694 174.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -84.75 -10.88 56.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.426 -169.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.73 9.01 31.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.758 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -84.04 107.04 16.16 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 10.8 m -106.63 92.54 4.15 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -104.53 129.63 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.576 -175.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -74.99 111.67 10.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.109 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 128.85 44.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -89.62 95.01 10.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.869 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' B' ' 1' ' ' MET . 9.9 m -128.11 152.99 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.764 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -97.57 167.09 11.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -67.92 -24.73 65.23 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.972 0.415 . . . . 0.0 111.442 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -89.21 0.52 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.038 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.69 142.12 38.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 34.2 p -86.34 152.68 22.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.426 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 49.5 mm -57.78 -38.25 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.767 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 1.3 p30 -60.45 -38.93 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.165 177.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.619 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 11.1 t-20 -70.03 -38.67 75.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.442 HG21 HD21 ' B' ' 56' ' ' LEU . 60.6 t -62.52 -41.61 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.404 176.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 98.8 mttt -57.49 -43.11 83.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 109.866 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t -66.41 -36.56 83.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.013 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.5 mttm -57.84 -43.32 85.79 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 109.994 176.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.92 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.561 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.46 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 9.2 tt0 -61.96 -39.35 91.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 176.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.646 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -74.38 -77.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.958 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.56 -6.62 25.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.528 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.68 43.75 7.15 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.393 175.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.5 mt -105.97 121.47 45.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.4 Cg_exo -56.65 128.91 31.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.18 2.586 . . . . 0.0 113.392 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.7 Cg_exo -61.3 -35.67 83.28 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.373 2.715 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.21 -19.27 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.679 HE22 HD13 ' B' ' 71' ' ' LEU . 0.4 OUTLIER -100.52 -7.78 23.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.617 -174.431 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.686 ' HB3' HD11 ' B' ' 69' ' ' LEU . 25.6 mt-30 -103.93 134.22 47.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.601 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -133.32 113.19 12.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.05 0.453 . . . . 0.0 109.907 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -85.01 152.46 23.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.339 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 67.4 mt -137.26 127.35 38.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.747 0.308 . . . . 0.0 110.328 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -132.66 120.19 21.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.47 27.6 17.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.652 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.43 -17.98 57.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.279 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -91.51 127.56 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.568 ' NE2' ' HB2' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -77.39 143.18 38.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.194 0.521 . . . . 0.0 110.536 178.762 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 9.2 mt -111.32 112.57 24.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.614 -176.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -117.39 179.24 4.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.336 0.588 . . . . 0.0 111.859 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' B' ' 24' ' ' ASP . 6.8 m-20 -68.81 149.58 48.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.078 -173.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.74 -41.85 2.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.567 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 17.1 mmt180 -97.22 162.09 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.8 p -95.51 178.38 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.951 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.442 HD21 HG21 ' B' ' 26' ' ' VAL . 3.7 mm? -64.01 -34.55 78.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.359 0.6 . . . . 0.0 109.907 173.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 t -74.32 -31.15 62.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.132 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 13.3 t70 -65.35 -45.15 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.184 -177.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' B' ' 54' ' ' ARG . 48.9 m-85 -79.82 5.65 13.07 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 60.91 67.98 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.603 0.716 . . . . 0.0 110.358 -177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.0 mt -113.59 129.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.236 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -92.05 164.62 13.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.643 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 56.8 pttt -86.31 169.14 13.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.454 ' OE1' ' HB2' ' B' ' 2' ' ' GLN . 7.7 mm-40 62.18 20.33 11.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.309 0.575 . . . . 0.0 110.217 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -108.75 157.38 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.033 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 17.7 m -100.81 117.67 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 111.002 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.667 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.3 mp -99.54 138.74 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.388 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -96.58 121.49 38.47 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.177 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' B' ' 41' ' ' GLN . 46.7 tp -97.11 100.76 12.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.24 0.543 . . . . 0.0 110.588 -178.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.534 HG13 HD21 ' B' ' 8' ' ' LEU . 45.1 t -96.92 120.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.209 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.813 ' H ' HD11 ' B' ' 8' ' ' LEU . 74.4 mt -86.44 156.05 20.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.769 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.76 -8.26 54.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.232 0.161 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -173.043 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 11.3 ptmt . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 121.263 0.554 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -105.54 155.32 19.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.293 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.85 168.83 28.06 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.924 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -130.31 131.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.707 HG21 HD12 ' A' ' 25' ' ' ILE . 5.3 p -83.9 134.15 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 110.821 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -99.35 -11.89 20.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.037 -174.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.36 171.59 11.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.015 0.436 . . . . 0.0 111.234 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.17 155.29 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.693 171.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -160.22 132.3 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.669 0.271 . . . . 0.0 110.887 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.401 ' HA ' HG23 ' A' ' 24' ' ' THR . 65.4 mtt -100.1 127.15 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.849 176.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -81.14 156.1 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.893 0.378 . . . . 0.0 111.283 -178.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -114.84 -46.37 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.266 0.555 . . . . 0.0 110.002 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -99.26 168.45 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.44 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.558 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.34 -34.86 79.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.45 0.643 . . . . 0.0 110.217 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 28.5 mt-10 -89.02 160.23 17.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.972 -171.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.491 HD21 ' HG ' ' A' ' 47' ' ' LEU . 60.9 tp -126.18 123.72 38.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.401 HG23 ' HA ' ' A' ' 16' ' ' MET . 93.6 m -71.65 119.83 16.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.505 177.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 11' ' ' VAL . 12.1 pt -123.58 153.73 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.984 -176.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -127.45 149.57 50.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.6 m -54.86 116.86 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.353 0.408 . . . . 0.0 110.391 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.49 -10.26 30.62 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.148 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 11' ' ' VAL . 11.8 m-20 -67.13 127.06 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.239 0.52 . . . . 0.0 110.366 176.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -79.35 127.06 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.619 HG12 HD23 ' A' ' 47' ' ' LEU . 17.0 m -128.51 150.78 34.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.393 0.616 . . . . 0.0 112.414 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.538 ' CE2' HG22 ' A' ' 48' ' ' VAL . 62.8 m-85 -96.34 131.27 43.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.097 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.575 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 55.6 mt -91.32 110.09 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 43.5 mt -80.02 -74.73 0.29 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.635 ' H ' ' HB2' ' A' ' 44' ' ' MET . 1.7 m-20 -121.58 136.34 54.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.313 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -128.53 -62.85 1.01 Allowed 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -53.65 -26.61 23.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -71.36 -19.46 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.3 m -127.94 157.72 39.8 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -126.31 2.64 7.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.682 0.753 . . . . 0.0 109.863 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -124.89 -51.67 1.68 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.192 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.603 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 71.5 m95 -122.8 118.26 27.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.003 0.43 . . . . 0.0 110.803 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -101.99 157.12 17.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.635 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.3 mmm -87.19 112.3 21.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.675 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 92.8 m -129.85 149.65 51.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.749 0.309 . . . . 0.0 110.997 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -122.81 124.91 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.203 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 31' ' ' VAL . 96.2 mt -67.27 122.11 17.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.337 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.538 HG22 ' CE2' ' A' ' 32' ' ' TYR . 38.5 t -66.86 -25.66 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.636 0.731 . . . . 0.0 110.204 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.66 -11.84 44.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.797 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 22.8 t -126.92 -35.85 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.904 -174.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.16 -6.43 75.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.009 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -82.46 137.06 34.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 p -115.34 156.51 25.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.63 -175.45 47.27 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.961 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.603 ' HB3' ' HB3' ' A' ' 42' ' ' TRP . 3.9 mm? -87.32 124.32 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.411 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.88 153.94 70.85 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.042 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 115.32 2.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.515 2.144 . . . . 0.0 112.067 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.925 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 8.6 tt0 -70.14 -12.17 61.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.343 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -94.5 -8.38 38.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.591 0.234 . . . . 0.0 111.175 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.28 137.2 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.998 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -116.96 108.17 44.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.04 115.44 4.27 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.917 2.411 . . . . 0.0 112.137 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.574 -178.569 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.611 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 21.1 ptt? . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.021 0.439 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -124.43 130.7 52.96 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -119.97 154.66 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.342 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -99.14 107.73 20.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.709 0.29 . . . . 0.0 110.245 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -91.77 96.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.957 0.408 . . . . 0.0 109.933 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.17 108.16 18.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.842 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.409 HG22 HD23 ' B' ' 69' ' ' LEU . 72.0 p -76.32 173.12 11.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.354 -177.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' B' ' 70' ' ' VAL . 24.1 mt -61.25 -32.34 72.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 178.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.9 p -84.71 1.78 44.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.359 -172.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 26.24 33.49 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.909 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -104.15 119.89 39.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -91.74 95.28 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.897 0.38 . . . . 0.0 110.642 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.78 116.66 30.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -78.01 116.42 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.466 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 15' ' ' LEU . 1.4 mm? -108.45 116.52 32.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 1' ' ' MET . 23.6 tt0 -86.39 98.21 10.87 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.253 0.549 . . . . 0.0 109.69 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.46 161.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.651 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -104.32 170.22 8.02 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.964 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -69.85 -25.96 63.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.482 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -80.82 -1.43 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.07 163.7 15.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 39.4 p -106.33 152.32 23.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.64 0.257 . . . . 0.0 110.905 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.662 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.8 mm -58.28 -38.18 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.042 0.449 . . . . 0.0 110.971 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.876 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 1.1 p-10 -62.5 -38.42 89.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.2 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.45 -37.41 65.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.96 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 30' ' ' ILE . 82.7 t -61.25 -42.08 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.512 ' HE2' ' HG3' ' B' ' 41' ' ' GLN . 84.7 mttt -53.84 -40.46 66.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 110.597 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -66.93 -38.99 87.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.517 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -73.52 -18.53 61.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 26' ' ' VAL . 77.5 mt -81.36 -41.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.98 -33.19 74.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.777 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.35 -33.99 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.758 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -107.88 -57.37 2.11 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.466 ' OE1' ' HA ' ' B' ' 34' ' ' GLU . 9.8 tp10 -86.5 -34.14 20.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.262 -175.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.5 18.17 29.01 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.902 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 79.0 mt -82.63 114.75 54.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.469 0.175 . . . . 0.0 110.729 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 10.1 Cg_endo -55.49 137.87 78.85 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.729 2.286 . . . . 0.0 111.897 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.6 Cg_exo -61.55 -26.61 80.88 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.949 2.433 . . . . 0.0 113.154 -175.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -86.23 -0.86 56.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.902 0.382 . . . . 0.0 111.264 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' B' ' 40' ' ' GLN . 5.8 tt0 -114.85 8.84 16.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.496 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.635 ' HB2' HD11 ' B' ' 69' ' ' LEU . 9.9 pt20 -133.24 150.08 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.444 -0.503 . . . . 0.0 112.148 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -135.69 136.48 40.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.349 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 6.6 mp -91.97 128.51 37.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -122.45 114.61 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.762 0.315 . . . . 0.0 110.497 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 39.8 t80 -110.85 110.19 20.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 18.47 5.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.918 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.84 -8.69 43.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.023 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.38 127.36 32.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.251 0.548 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.427 ' HG2' ' HG2' ' B' ' 51' ' ' GLU . 18.8 tt0 -69.96 113.35 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.385 176.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 43.5 mt -107.02 94.23 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.427 ' HG2' ' HG2' ' B' ' 49' ' ' GLN . 6.1 mm-40 -92.59 153.26 19.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.296 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.876 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 1.8 p-10 -71.54 165.82 23.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.157 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.24 -27.62 12.33 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -123.36 168.92 11.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 111.457 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 55.5 p -85.09 166.06 16.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.126 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mp -69.9 -27.34 64.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 175.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -60.27 -40.48 90.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.24 -41.82 93.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -79.77 -1.36 38.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 61.09 39.91 15.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.291 0.567 . . . . 0.0 111.399 177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.59 125.48 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -105.53 174.03 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.611 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 10.9 ptmm? -72.54 156.11 39.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.993 0.425 . . . . 0.0 111.632 -177.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 64.93 22.16 12.43 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.059 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.5 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 12.3 p -82.89 144.17 30.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.797 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.2 m -97.14 102.09 13.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.22 0.533 . . . . 0.0 110.838 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' B' ' 45' ' ' PHE . 6.8 mp -92.9 141.87 27.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.434 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -104.97 119.99 40.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' B' ' 41' ' ' GLN . 31.5 tp -90.54 104.05 16.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.126 0.489 . . . . 0.0 110.414 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.576 ' HA ' HD21 ' B' ' 8' ' ' LEU . 58.2 t -106.41 128.23 61.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.842 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.561 ' H ' HD11 ' B' ' 8' ' ' LEU . 21.4 mt -73.16 160.02 32.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.297 -176.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -97.32 -2.29 42.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.22 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 18.2 tp . . . . . 0 CA--C 1.536 0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.319 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.265 0.555 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -97.18 137.01 36.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.823 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -138.79 143.95 14.82 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.53 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.748 HG13 ' HG2' ' A' ' 30' ' ' LYS . 1.7 mp -108.2 110.18 31.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 173.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.628 HG21 HD12 ' A' ' 25' ' ' ILE . 2.8 p -67.4 135.93 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.069 0.462 . . . . 0.0 111.199 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.518 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 31.9 mm-40 -100.83 -12.87 18.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.041 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -121.63 145.4 48.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.855 0.359 . . . . 0.0 111.213 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.72 116.99 21.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.692 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HB3' HG12 ' A' ' 25' ' ' ILE . 41.3 t80 -112.0 121.27 44.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -102.1 100.49 10.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.408 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 125.8 25.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.593 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -102.06 -29.63 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.405 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 m -96.17 148.46 22.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.001 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.22 -12.63 60.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.099 0.476 . . . . 0.0 110.243 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.04 -33.43 74.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.752 172.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 39.7 mt-10 -85.98 173.7 9.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.307 -174.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 52' ' ' LYS . 24.7 tp -129.85 123.71 31.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.816 0.341 . . . . 0.0 111.222 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 14.5 m -79.05 105.45 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.628 HD12 HG21 ' A' ' 11' ' ' VAL . 16.7 pt -123.16 155.32 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.269 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -106.34 152.89 22.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.205 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.6 t -64.64 114.98 4.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.22 7.43 26.66 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.42 -176.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' HG12 ' A' ' 11' ' ' VAL . 63.2 m-20 -86.37 130.84 34.37 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.561 -0.376 . . . . 0.0 110.017 173.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.748 ' HG2' HG13 ' A' ' 10' ' ' ILE . 49.0 mtmt -85.91 126.98 34.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.999 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.915 HG12 HD22 ' A' ' 47' ' ' LEU . 33.5 m -128.07 146.08 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.04 0.448 . . . . 0.0 111.738 -174.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -92.65 121.95 34.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.455 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.9 mt -79.99 112.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -92.52 -76.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.35 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.656 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 3.7 m-20 -82.04 101.98 10.69 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 3.1 p30 -116.02 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.59 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -68.61 -29.6 68.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.134 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -72.29 -23.78 61.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.868 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.536 ' HB3' ' O ' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -150.7 114.84 5.07 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -73.06 -22.17 60.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.387 0.613 . . . . 0.0 110.636 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.603 ' HA ' HD21 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -88.12 -56.43 3.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.969 -175.772 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 39' ' ' SER . 50.3 m95 -117.62 125.59 51.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.607 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.412 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 43.0 m0 -105.01 146.37 29.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.656 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 4.4 mtm -91.36 105.24 17.63 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.649 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 74.6 m -102.83 141.52 35.5 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.311 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.553 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 36.9 tt0 -115.52 119.5 36.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.558 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.915 HD22 HG12 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.41 123.66 17.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.958 -175.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.75 -41.55 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.237 0.541 . . . . 0.0 111.245 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.42 -38.16 17.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.14 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.8 m -93.8 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.99 5.97 65.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.47 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.874 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 76.5 mttt -70.73 126.74 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 85.1 p -125.04 125.14 43.37 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.496 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.69 -178.47 39.26 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.702 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' A' ' 42' ' ' TRP . 4.4 mm? -84.28 126.02 32.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 111.36 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 25' ' ' ILE . 31.6 m -136.34 151.18 72.73 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.804 174.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.71 133.04 37.54 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.514 2.143 . . . . 0.0 112.056 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.82 70.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.951 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.402 HE21 HG22 ' B' ' 70' ' ' VAL . 16.8 pt20 -78.71 9.96 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.098 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.404 ' HZ ' ' HB ' ' B' ' 44' ' ' ILE . 3.4 m-30 -105.9 -15.88 14.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 0.0 110.116 176.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.568 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 49.8 mm -95.98 133.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.825 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HB2' ' HG2' ' A' ' 12' ' ' GLN . 1.4 tp10 -104.91 90.48 3.6 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 171.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 61' ' ' ILE . 18.5 Cg_exo -66.71 137.87 47.24 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.434 2.09 . . . . 0.0 111.767 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.719 0.771 . . . . 0.0 110.702 -179.849 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.482 ' CB ' ' HB3' ' B' ' 63' ' ' LYS . 14.2 ptt? . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -89.52 126.33 35.55 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.419 ' HB ' HD13 ' B' ' 67' ' ' LEU . 40.2 pt -116.12 135.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.08 93.85 5.69 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.821 HG13 ' HB ' ' B' ' 13' ' ' ILE . 2.8 p -93.47 110.91 23.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.435 0.636 . . . . 0.0 110.378 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.6 123.26 31.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.495 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.567 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 52.0 p -74.68 175.22 8.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.704 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.603 HD21 ' HA ' ' A' ' 41' ' ' ASP . 4.8 tt -64.43 -20.71 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.472 . . . . 0.0 110.536 -178.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.9 p -85.32 -8.59 58.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.441 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 11.8 58.32 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.236 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -84.8 130.21 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 0.0 110.592 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.1 m -85.1 112.13 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.821 ' HB ' HG13 ' B' ' 5' ' ' VAL . 48.3 mm -99.97 104.85 16.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.792 174.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 27.0 m -79.35 111.52 15.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' B' ' 15' ' ' LEU . 13.3 tp -120.4 120.95 37.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.816 0.341 . . . . 0.0 111.124 -174.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -87.09 102.44 14.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.96 160.82 23.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -174.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.611 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 43.3 mt-10 -82.39 147.2 28.93 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -67.81 -23.74 65.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -102.82 13.12 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.611 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 21.0 t0 -78.14 147.81 34.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.755 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.8 p -78.65 150.36 32.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 40.3 mm -58.86 -33.82 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.234 0.54 . . . . 0.0 109.548 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.78 -42.69 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.868 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.9 t30 -73.29 -31.61 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.36 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 22' ' ' THR . 86.7 t -66.11 -43.38 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 172.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 92.6 mttt -55.93 -43.84 77.79 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 173.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -69.59 -27.89 65.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.105 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.9 mttp -67.45 -41.06 85.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.074 0.464 . . . . 0.0 110.129 173.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.14 -37.87 77.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.097 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.574 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 11.8 tt0 -68.59 -35.1 76.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.07 0.462 . . . . 0.0 110.397 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.01 -37.39 85.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -83.37 -61.22 1.9 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.81 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -98.54 -30.07 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 49.72 2.5 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.564 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.574 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 59.2 mt -108.32 126.72 28.97 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.4 Cg_exo -59.35 131.44 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.904 2.402 . . . . 0.0 112.576 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.5 Cg_exo -61.58 -31.05 86.89 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.165 2.577 . . . . 0.0 112.727 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.45 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 3.6 m-20 -63.84 -34.57 78.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.449 0.642 . . . . 0.0 110.191 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 16.5 tt0 -85.93 -4.19 59.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.631 -174.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.448 ' HG2' HD11 ' B' ' 69' ' ' LEU . 45.0 mt-30 -102.04 116.63 33.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -120.75 115.95 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 166.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.3 mm? -92.23 134.88 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.858 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.421 ' N ' HD12 ' B' ' 44' ' ' ILE . 3.9 mp -114.84 125.13 72.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.909 0.385 . . . . 0.0 110.039 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 52.3 t80 -125.23 102.36 7.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.319 176.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.62 34.29 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.76 -8.61 58.15 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -89.88 111.56 22.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.09 112.63 17.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 21.1 mt -92.55 119.9 32.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.73 -172.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -117.5 162.51 17.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.222 0.534 . . . . 0.0 110.443 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.4 161.35 22.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.847 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.05 -37.27 3.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.676 -174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.531 ' HD2' ' OD2' ' B' ' 58' ' ' ASP . 14.5 mmt180 -102.08 171.48 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.765 0.317 . . . . 0.0 110.952 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.755 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 57.8 p -106.82 172.81 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.5 mt -68.38 -31.78 71.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.289 0.566 . . . . 0.0 110.039 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -69.16 -28.87 66.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.541 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.531 ' OD2' ' HD2' ' B' ' 54' ' ' ARG . 9.2 t70 -62.09 -46.76 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.423 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -85.03 0.14 52.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.169 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.8 m120 62.93 58.04 1.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.547 0.529 . . . . 0.0 110.805 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -95.89 129.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -92.83 -170.59 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.733 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.482 ' HB3' ' CB ' ' B' ' 1' ' ' MET . 18.0 pttm -93.81 154.2 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.28 12.36 8.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.824 0.703 . . . . 0.0 110.51 -175.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 75.8 m -68.83 139.57 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.127 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -97.26 113.44 25.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.494 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.419 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.3 mp -104.71 156.68 17.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.837 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -126.22 129.04 48.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.821 0.343 . . . . 0.0 110.54 174.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.567 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 53.4 tp -93.79 105.68 17.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.511 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.402 HG22 HE21 ' A' ' 59' ' ' GLN . 29.9 t -105.14 131.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 175.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.593 ' H ' HD12 ' B' ' 8' ' ' LEU . 18.9 mt -81.04 144.54 31.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.722 0.772 . . . . 0.0 112.542 -169.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 34.8 ttm180 -98.79 104.7 16.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.365 -1.289 . . . . 0.0 107.927 170.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.328 -0.345 0 O-C-N 123.591 0.557 . . . . 0.0 111.12 -176.389 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 94.9 mttt . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 121.348 0.594 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -110.93 137.39 48.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.958 0.409 . . . . 0.0 110.543 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.63 152.43 21.63 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.904 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -110.95 111.52 36.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 2.6 p -72.89 124.98 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 0.0 111.091 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -86.02 -43.4 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.967 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 77.2 m-85 -102.44 -177.46 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 -176.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -115.83 128.07 55.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.576 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 66.3 t80 -127.72 136.28 51.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.643 0.258 . . . . 0.0 110.675 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp -103.41 141.76 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.02 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.55 112.23 24.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.81 -32.77 12.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.201 0.524 . . . . 0.0 109.763 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -86.55 166.46 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.912 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.31 52.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.31 0.576 . . . . 0.0 109.783 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.51 -12.46 42.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.55 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -90.96 163.44 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.551 0.215 . . . . 0.0 110.54 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.683 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 54.8 tp -124.13 145.4 49.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 111.127 -177.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -92.0 116.94 29.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.4 pt -122.47 145.22 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.781 0.324 . . . . 0.0 111.222 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -107.54 139.47 42.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.535 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 p -59.67 125.2 22.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.045 0.45 . . . . 0.0 111.426 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.98 1.49 63.08 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.671 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.402 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.4 t70 -81.82 152.57 26.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -88.96 120.62 30.54 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.738 HG21 HD12 ' A' ' 61' ' ' ILE . 34.1 m -125.21 149.66 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.992 0.425 . . . . 0.0 111.6 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 47.1 m-85 -89.84 151.43 21.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.236 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.4 mt -102.05 95.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.579 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 93.7 mt -63.8 -52.5 59.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.695 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.474 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 15.9 t70 -141.3 139.74 33.7 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.218 0.533 . . . . 0.0 111.384 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -134.04 24.23 3.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.84 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -126.69 -39.84 1.96 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 69.8 mmtt -59.03 -40.92 86.49 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.434 0.635 . . . . 0.0 110.18 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 m -146.01 148.14 32.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.364 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -93.27 -25.12 17.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 0.0 110.147 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.901 ' HA ' HD13 ' B' ' 8' ' ' LEU . 5.2 m-20 -78.66 -36.91 43.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.72 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.471 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 70.3 m95 -124.17 126.43 46.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -112.97 158.6 20.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.309 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.579 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -101.97 125.35 48.63 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.52 ' SG ' HD23 ' A' ' 23' ' ' LEU . 27.9 p -123.41 158.08 31.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.801 0.334 . . . . 0.0 110.957 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 54.3 tt0 -133.19 123.72 26.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.618 HD23 HG12 ' A' ' 31' ' ' VAL . 96.9 mt -66.79 126.02 27.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.5 t -76.02 -23.38 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.516 0.674 . . . . 0.0 109.49 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.06 -57.96 3.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 t -85.68 -45.61 11.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.558 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.2 -16.79 32.27 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.18 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.73 155.33 40.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.74 0.305 . . . . 0.0 110.815 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.1 m -128.69 162.99 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 -175.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.683 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 172.89 178.14 42.71 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.136 176.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 25.5 tp -92.52 133.14 36.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.894 0.478 . . . . 0.0 110.639 -177.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG11 HD13 ' A' ' 25' ' ' ILE . 29.6 m -141.11 159.62 60.94 Favored Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.49 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HB3' HG21 ' B' ' 70' ' ' VAL . 24.3 Cg_exo -64.89 145.34 85.64 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.814 2.343 . . . . 0.0 112.196 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB3' HD11 ' B' ' 8' ' ' LEU . . . -62.66 -36.13 81.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.487 HE22 HG22 ' B' ' 70' ' ' VAL . 20.4 mp0 -62.66 -18.84 63.09 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.026 0.441 . . . . 0.0 111.112 -178.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 3.6 m-85 -79.83 -27.5 40.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.875 -176.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.738 HD12 HG21 ' A' ' 31' ' ' VAL . 45.0 mm -106.61 107.73 23.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.779 0.323 . . . . 0.0 111.02 -176.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -93.11 103.71 10.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 173.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.12 116.1 3.26 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.486 2.124 . . . . 0.0 112.346 -176.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 122.293 1.044 . . . . 0.0 110.083 179.362 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.513 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 21.5 ptt? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.6 mt-30 -76.3 131.86 39.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 170.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.524 ' HB ' HD23 ' B' ' 67' ' ' LEU . 36.9 pt -121.11 145.84 27.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -95.42 95.48 8.47 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.1 t -79.6 93.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' B' ' 7' ' ' THR . 12.3 tmtt? -98.84 105.13 17.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.235 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.599 HG22 HD23 ' B' ' 69' ' ' LEU . 70.1 p -66.8 165.91 14.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.598 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 41' ' ' ASP . 8.4 tt -57.53 -53.25 60.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.2 p -68.91 -45.79 70.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.17 58.59 0.01 OUTLIER Glycine 0 C--O 1.228 -0.228 0 C-N-CA 119.19 -1.481 . . . . 0.0 114.47 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.4 mttp -121.75 114.78 21.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 169.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -96.8 93.43 6.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.126 0.488 . . . . 0.0 109.803 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.61 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 40.6 mt -94.21 107.58 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.783 -175.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -74.35 111.72 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -117.45 131.48 56.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.689 -176.251 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -89.56 106.71 18.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -134.86 155.37 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.386 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 43.0 mt-10 -93.95 172.14 8.42 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.4 -26.06 62.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -86.77 1.89 50.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.917 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -71.01 143.32 50.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.53 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 75.0 p -90.08 152.73 21.01 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.649 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 43.3 mm -60.16 -30.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -62.43 -48.03 81.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.939 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.14 -40.97 95.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.588 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 22' ' ' THR . 22.6 t -63.16 -41.57 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.125 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 90.3 mttt -57.73 -43.71 85.52 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -63.66 -39.53 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.761 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 96.9 mttt -64.51 -40.4 95.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.501 HD13 HG11 ' B' ' 5' ' ' VAL . 73.5 mt -71.81 -31.39 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.231 0.539 . . . . 0.0 110.281 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.495 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.8 tt0 -64.23 -31.74 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.05 175.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.67 -38.36 58.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 74.9 mmtt -68.05 -69.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.941 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -103.05 -12.3 17.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.608 -173.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.77 26.92 36.45 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.713 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.6 mt -87.62 126.99 60.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.661 -0.317 . . . . 0.0 110.195 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.0 Cg_exo -59.98 131.94 42.1 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.114 2.543 . . . . 0.0 112.687 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.466 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 32.9 Cg_exo -61.53 -34.82 84.62 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.349 2.699 . . . . 0.0 113.004 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 -31.48 68.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.229 0.537 . . . . 0.0 110.85 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.454 ' NE2' HD23 ' B' ' 71' ' ' LEU . 26.3 tt0 -79.57 -28.22 41.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -71.84 124.32 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -131.7 107.92 9.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.858 171.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.502 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.5 mp -88.46 145.19 25.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.32 -176.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.442 HG21 ' HZ ' ' A' ' 60' ' ' PHE . 74.1 mt -130.31 123.09 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.755 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -113.88 95.68 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.394 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.96 44.88 25.51 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.967 0.413 . . . . 0.0 112.071 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.24 -19.06 55.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.46 112.7 13.26 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.84 113.59 11.17 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.502 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 60.2 mt -94.02 90.79 6.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.451 . . . . 0.0 110.991 -176.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -84.17 149.57 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.721 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.649 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.5 p30 -69.65 168.82 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.47 -62.83 0.62 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.585 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -76.17 172.32 13.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.642 0.258 . . . . 0.0 110.805 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.8 p -97.01 171.0 8.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.532 HD11 HG21 ' B' ' 26' ' ' VAL . 7.5 mp -68.36 -26.15 65.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.096 0.474 . . . . 0.0 109.915 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -67.07 -35.92 80.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.209 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.56 -20.58 65.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.055 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -112.13 5.88 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.11 40.44 11.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.677 173.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -77.81 133.47 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -92.62 172.52 8.31 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.567 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.513 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 22.7 mmtm -71.9 144.57 48.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.201 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 57.91 32.55 22.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.516 0.674 . . . . 0.0 111.129 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -81.96 159.95 23.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -104.6 111.01 23.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.289 0.566 . . . . 0.0 111.008 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.524 HD23 ' HB ' ' B' ' 3' ' ' ILE . 2.9 mm? -96.32 115.41 27.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.506 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 89.5 m-70 -82.1 111.6 18.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.599 HD23 HG22 ' B' ' 7' ' ' THR . 54.8 tp -89.03 112.24 23.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.487 HG22 HE22 ' A' ' 59' ' ' GLN . 44.8 t -104.34 133.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.391 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.454 HD23 ' NE2' ' B' ' 40' ' ' GLN . 7.5 mp -89.48 133.85 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.963 0.411 . . . . 0.0 111.066 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -75.2 -23.66 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.368 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.466 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.328 178.375 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.6 -33.67 15.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.669 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -80.79 64.94 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.298 0.57 . . . . 0.0 109.591 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -91.66 -14.16 30.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.769 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 t -86.25 88.28 7.58 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.78 99.32 11.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.536 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -68.04 125.43 26.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.564 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -88.33 132.22 34.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.362 0.601 . . . . 0.0 112.201 -169.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -133.59 164.05 24.36 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.012 175.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -119.48 130.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 117.067 0.434 . . . . 0.0 109.943 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.655 HG21 ' HB ' ' A' ' 25' ' ' ILE . 1.9 p -81.69 121.64 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -93.49 -41.36 9.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -96.47 133.0 41.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.269 0.557 . . . . 0.0 111.782 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.634 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 14.4 t70 -80.42 97.36 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.827 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 90.2 t80 -113.33 118.09 33.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.324 -173.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.571 ' HA ' HG23 ' A' ' 24' ' ' THR . 26.5 mmt -90.13 121.23 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.869 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -93.89 131.95 38.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.46 -28.51 16.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.614 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -97.7 151.15 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.089 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.69 -27.0 63.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.244 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.92 -17.96 61.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.306 0.574 . . . . 0.0 110.142 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.654 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 51.4 mt-10 -95.42 151.58 19.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB3' HG13 ' A' ' 56' ' ' VAL . 57.9 tp -106.03 123.28 47.74 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.615 -177.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.571 HG23 ' HA ' ' A' ' 16' ' ' MET . 91.3 m -74.43 108.5 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 173.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.655 ' HB ' HG21 ' A' ' 11' ' ' VAL . 22.4 pt -109.92 115.18 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.41 0.624 . . . . 0.0 111.023 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -85.24 129.37 34.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.762 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.443 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 43.0 t -57.98 120.9 9.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.251 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.67 -6.65 35.79 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.566 -0.825 . . . . 0.0 113.329 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.55 -169.24 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.291 0.546 . . . . 0.0 110.336 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 48' ' ' VAL . 44.2 mmtm -117.65 139.35 51.13 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.16 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.757 HG21 HD12 ' A' ' 61' ' ' ILE . 23.5 m -131.59 147.69 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 110.864 177.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.6 ' CE2' HG22 ' A' ' 48' ' ' VAL . 46.4 m-85 -100.59 130.53 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.972 174.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -82.6 106.28 13.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.648 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -78.04 -64.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.616 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.664 ' H ' ' HB2' ' A' ' 44' ' ' MET . 6.0 t0 -130.38 136.43 49.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.727 175.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -134.75 9.22 3.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.497 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.63 -13.27 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.444 -176.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -62.85 -41.83 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 109.326 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -138.21 158.81 43.56 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.122 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -95.65 -42.53 8.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.533 ' HA ' HD22 ' B' ' 8' ' ' LEU . 5.1 m-20 -77.93 -49.72 13.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.965 0.412 . . . . 0.0 111.436 -175.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -111.1 132.81 53.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.389 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -113.57 164.55 13.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.664 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 70.3 mmm -95.31 110.85 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.574 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.414 ' SG ' HG13 ' A' ' 61' ' ' ILE . 98.1 m -121.56 152.33 39.35 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -127.69 125.27 39.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.834 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 31' ' ' VAL . 68.2 mt -63.84 125.44 24.39 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.6 HG22 ' CE2' ' A' ' 32' ' ' TYR . 77.8 t -58.0 -44.14 86.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.796 -176.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -87.8 -49.86 6.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.407 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.31 -30.2 67.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.525 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.21 88.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.695 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -82.49 132.41 35.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -112.53 148.9 33.52 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.83 -178.5 48.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.848 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.23 134.52 33.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 23' ' ' LEU . 26.7 m -139.5 156.65 71.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.971 175.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HB3' HG21 ' B' ' 70' ' ' VAL . 29.7 Cg_exo -62.95 133.55 42.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.545 2.163 . . . . 0.0 112.172 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.34 -48.7 65.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.643 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 5.3 pt20 -84.26 20.71 1.56 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -104.58 -13.11 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.757 HD12 HG21 ' A' ' 31' ' ' VAL . 51.0 mm -115.25 124.36 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.261 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 39.0 tt0 -116.41 114.75 40.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.526 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 37.7 Cg_exo -59.9 135.56 64.0 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 -177.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 66' ' ' ASP . 4.7 p -75.89 154.54 6.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 70.14 -42.86 0.53 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.557 0.743 . . . . 0.0 111.913 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.503 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 31.1 t70 -49.33 -71.73 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 123.402 0.681 . . . . 0.0 112.293 -176.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.503 ' HG2' ' OD2' ' A' ' 66' ' ' ASP . 73.2 mmtt -129.17 13.06 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.079 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -91.45 -16.83 26.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.81 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -151.51 98.6 2.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.306 0.574 . . . . 0.0 110.869 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 m -115.36 6.59 14.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.548 1.166 . . . . 0.0 108.063 173.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 C--O 1.245 0.839 0 CA-C-N 114.044 -1.434 . . . . 0.0 109.773 -175.812 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.469 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 19.7 ptt? . . . . . 0 CA--C 1.5 -0.953 0 CA-C-O 121.761 0.791 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 77.0 mt-30 -119.06 122.14 41.44 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.623 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.2 pt -117.35 140.51 39.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.687 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.38 93.79 9.66 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.723 HG13 HG13 ' B' ' 13' ' ' ILE . 2.7 p -87.77 106.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.171 0.986 . . . . 0.0 109.681 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 48.7 tttp -98.39 108.19 20.83 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.238 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.618 HG22 HD23 ' B' ' 69' ' ' LEU . 39.1 p -67.85 155.84 38.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.643 ' HA ' ' NE2' ' A' ' 59' ' ' GLN . 6.4 tt -65.66 -22.86 66.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.023 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -74.9 -11.43 60.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 111.575 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.26 5.07 43.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.769 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.423 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 21.5 tptp -85.85 93.5 8.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 4.0 m -88.55 107.43 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.098 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.723 HG13 HG13 ' B' ' 5' ' ' VAL . 12.6 pt -113.89 142.87 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.053 0.454 . . . . 0.0 111.349 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -91.44 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.901 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.767 HD12 HG12 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -101.45 125.56 48.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -173.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' B' ' 1' ' ' MET . 13.0 tp10 -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.699 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.767 HG12 HD12 ' B' ' 15' ' ' LEU . 0.5 OUTLIER -143.8 155.22 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.635 -176.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.67 145.79 32.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.649 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -59.28 -23.46 62.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -103.78 11.14 36.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.543 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.442 ' HB2' HG23 ' B' ' 17' ' ' VAL . 2.4 m-20 -75.01 146.62 41.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.657 0.265 . . . . 0.0 110.494 177.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 36.4 p -77.96 154.22 31.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.094 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' B' ' 50' ' ' LEU . 49.5 mm -61.22 -30.74 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.28 -51.05 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.608 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.6 t30 -68.91 -32.97 72.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.547 ' HA ' ' HD2' ' B' ' 29' ' ' LYS . 73.3 t -59.46 -44.18 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.332 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 99.1 mttt -63.35 -36.05 82.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.838 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -62.11 -41.03 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.978 0.418 . . . . 0.0 110.357 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.573 ' HE3' ' HB ' ' B' ' 17' ' ' VAL . 53.0 mttm -63.64 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.406 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.68 -33.81 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.054 0.454 . . . . 0.0 110.381 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.462 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 63.9 tt0 -66.96 -26.51 66.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.18 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.89 -42.67 23.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.205 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' B' ' 33' ' ' LYS . 14.6 tppt? -65.81 -66.96 0.48 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -102.48 -31.69 10.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.095 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.94 65.5 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.392 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.452 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 32.4 mt -123.61 133.46 24.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 10.3 Cg_endo -55.71 124.63 16.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.96 2.44 . . . . 0.0 112.611 176.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.9 Cg_exo -55.51 -42.76 64.75 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.616 2.877 . . . . 0.0 113.957 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.02 -36.82 80.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.337 0.589 . . . . 0.0 110.603 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.417 ' HG3' ' HB3' ' B' ' 74' ' ' ARG . 26.3 tt0 -72.24 -19.99 61.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.265 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.484 ' HB3' HD11 ' B' ' 69' ' ' LEU . 48.9 mt-30 -90.01 119.47 30.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.977 -174.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 79.8 mtt180 -115.26 108.49 16.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.046 172.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.553 ' HG ' HD13 ' B' ' 69' ' ' LEU . 6.0 mp -86.71 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.85 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.0 mt -119.08 119.79 61.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -118.82 116.79 27.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.219 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 20.06 10.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.957 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.634 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 97.94 -2.13 59.85 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -97.16 118.21 33.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.797 0.332 . . . . 0.0 110.386 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.504 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 28.3 tt0 -77.77 127.65 32.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.494 ' HB3' HG13 ' B' ' 23' ' ' ILE . 26.0 mt -90.49 130.49 36.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.884 -172.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -83.24 149.54 26.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.79 -43.79 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.565 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.58 -0.6 80.2 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 121.093 -0.575 . . . . 0.0 114.062 -172.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.414 ' HD2' ' CZ ' ' B' ' 59' ' ' TYR . 64.4 mtt180 -105.95 159.72 15.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.208 0.504 . . . . 0.0 110.279 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.0 p -97.78 178.26 5.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.81 -27.39 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.037 0.446 . . . . 0.0 110.189 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -77.3 -31.56 54.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.049 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.98 -27.47 69.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.356 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.414 ' CZ ' ' HD2' ' B' ' 54' ' ' ARG . 94.3 m-85 -107.32 4.22 26.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.783 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 t30 56.04 68.26 0.89 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.626 0.726 . . . . 0.0 110.901 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -111.78 112.5 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.286 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -78.44 159.56 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.945 0.403 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.469 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 9.5 ptpp? -68.39 161.45 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 59.53 32.49 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.459 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -102.61 165.35 11.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.873 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -107.42 110.28 22.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.108 0.48 . . . . 0.0 110.884 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.76 138.9 37.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.648 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -96.05 123.83 39.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.618 HD23 HG22 ' B' ' 7' ' ' THR . 37.2 tp -102.92 101.62 11.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.219 0.533 . . . . 0.0 110.332 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.525 HG21 ' HB3' ' A' ' 57' ' ' PRO . 46.4 t -98.67 127.05 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.587 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.42 151.86 22.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.416 ' C ' ' H ' ' B' ' 74' ' ' ARG . 82.5 mtp180 -71.64 176.11 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.918 174.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.8 mt -83.49 22.43 1.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.542 0.687 . . . . 0.0 109.601 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.417 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 19.1 tpt85 -72.44 -32.66 66.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.925 178.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.52 34.65 5.27 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.966 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 CA-C-O 118.354 -1.248 . . . . 0.0 111.447 179.32 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.817 0.341 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.45 -13.2 52.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.644 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -68.91 111.23 4.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.719 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -123.88 134.72 53.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.936 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -100.1 -64.1 1.07 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.043 0.449 . . . . 0.0 110.214 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -150.8 162.91 39.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.868 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 52.0 mttp -68.4 119.29 12.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -177.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.43 150.07 26.27 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 153.3 24.49 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.606 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.611 HG12 HG22 ' A' ' 64' ' ' VAL . 42.6 mm -109.59 129.59 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 p -84.89 114.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.154 0.502 . . . . 0.0 110.163 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -84.87 -45.9 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.055 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.551 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 80.2 m-85 -109.28 135.09 50.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.304 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.97 149.7 49.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.075 -176.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' HB3' HG12 ' A' ' 25' ' ' ILE . 64.3 t80 -139.47 118.38 12.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.664 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.705 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.3 ptp -101.4 131.14 47.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.066 0.46 . . . . 0.0 109.989 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -97.96 146.06 25.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.284 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -103.58 -25.36 13.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -109.17 144.9 36.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -74.01 -8.54 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.417 0.627 . . . . 0.0 110.21 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.89 -26.96 64.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.412 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 44.0 mt-10 -95.51 148.72 22.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.003 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 44.4 tp -103.23 111.18 23.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 111.128 -173.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.705 HG23 ' HA ' ' A' ' 16' ' ' MET . 29.5 m -68.04 111.52 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.457 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.6 pt -120.75 146.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.25 -175.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HB2' ' NZ ' ' A' ' 26' ' ' LYS . 8.9 mtmp? -114.01 145.88 40.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 p -59.82 121.98 13.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.29 -14.88 27.94 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.666 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -70.44 153.84 42.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.293 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.744 ' HB2' ' HB ' ' A' ' 48' ' ' VAL . 41.8 mmtm -100.81 130.14 46.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.43 HG12 HD23 ' A' ' 47' ' ' LEU . 23.2 m -131.25 148.43 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.201 0.524 . . . . 0.0 112.141 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD2' HG22 ' A' ' 48' ' ' VAL . 7.4 m-85 -98.49 128.1 44.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.43 170.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 51.2 mt -83.34 95.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 84.0 mt -66.2 -58.68 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.836 -176.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.7 m-20 -126.01 99.84 6.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.743 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.415 ' HB3' HG21 ' A' ' 33' ' ' ILE . 7.7 p-10 -91.22 -13.06 33.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.974 174.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.99 9.54 42.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.836 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 23.7 ttpp -78.2 -49.21 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.473 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' TRP . 21.5 m -145.85 178.44 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -175.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.29 -38.93 14.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.01 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HB3' HD21 ' B' ' 8' ' ' LEU . 2.6 p30 -108.69 -36.13 6.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.798 -172.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.443 ' HB2' HD11 ' B' ' 73' ' ' LEU . 83.1 m95 -110.82 122.55 48.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -113.33 166.81 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.516 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 82.6 mmm -96.06 126.0 40.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 64.7 m -131.14 146.03 52.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.218 0.532 . . . . 0.0 111.495 177.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.404 ' HB2' HD11 ' A' ' 34' ' ' LEU . 59.2 tt0 -121.65 129.2 52.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.619 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' HG ' HD21 ' A' ' 23' ' ' LEU . 93.9 mt -63.58 120.86 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.529 0.204 . . . . 0.0 111.009 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.744 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 81.0 t -67.03 -31.06 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 0.0 109.951 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.16 3.19 31.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.774 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.5 t -149.93 -62.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.98 -13.26 9.14 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.737 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.52 139.94 57.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -121.32 161.32 22.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.556 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 179.99 177.7 48.15 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.223 -0.989 . . . . 0.0 112.815 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.47 131.85 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.64 0.257 . . . . 0.0 110.794 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.432 HG21 ' SG ' ' A' ' 45' ' ' CYS . 34.9 m -136.89 151.5 72.4 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.54 128.02 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.921 2.414 . . . . 0.0 111.962 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.44 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.443 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.761 ' HB3' ' HB3' ' B' ' 8' ' ' LEU . 7.0 pt20 -66.01 -8.38 22.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.12 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 13' ' ' TYR . 22.1 m-30 -113.63 -4.32 13.48 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.982 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -117.54 132.26 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -127.29 119.36 21.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.96 134.03 57.61 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.898 2.399 . . . . 0.0 112.634 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.611 HG22 HG12 ' A' ' 10' ' ' ILE . 48.6 t -66.21 129.85 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.209 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 73.75 -23.53 0.22 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.799 0.687 . . . . 0.0 111.258 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 64' ' ' VAL . 4.9 t70 71.92 138.06 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.876 0.87 . . . . 0.0 113.058 174.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -159.37 29.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.321 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.42 141.09 43.27 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.065 -174.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -86.08 93.88 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -84.78 138.03 32.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.428 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.448 -0.787 . . . . 0.0 109.557 179.725 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.484 ' HG3' ' HA ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.069 0.461 . . . . 0.0 110.654 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 77.0 mt-30 -83.65 142.13 31.01 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 177.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.414 HG23 ' SD ' ' B' ' 1' ' ' MET . 26.8 pt -123.66 139.71 49.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 167.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' B' ' 66' ' ' THR . 87.3 m-85 -96.93 106.59 18.95 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.883 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' B' ' 12' ' ' THR . 59.9 t -85.71 101.27 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.618 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -107.71 119.81 40.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p -79.86 167.97 19.86 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.761 ' HB3' ' HB3' ' A' ' 59' ' ' GLN . 1.8 pp -75.78 -5.64 46.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.901 0.382 . . . . 0.0 111.333 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 p -89.36 -40.13 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.384 . . . . 0.0 110.315 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.18 -15.55 1.7 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.817 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.29 107.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.706 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 4.6 m -119.85 105.16 10.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.248 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.425 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.4 pt -106.77 138.41 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.928 0.394 . . . . 0.0 111.232 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -86.57 118.66 26.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.391 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' B' ' 15' ' ' LEU . 15.1 tp -116.65 119.29 35.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.698 0.285 . . . . 0.0 111.131 -177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 tp10 -79.49 101.25 8.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.235 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.17 -157.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 5.6 tp10 -151.94 153.13 33.49 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.144 174.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.643 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 6.8 p -65.48 -24.25 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.38 13.85 12.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -101.26 171.08 7.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 38.8 p -102.4 148.08 25.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.67 0.271 . . . . 0.0 111.186 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -34.78 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.04 -45.53 86.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.161 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.56 -36.96 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 88.7 t -60.89 -42.21 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.404 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 93.0 mttt -54.73 -44.93 73.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.442 . . . . 0.0 110.807 176.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -64.37 -36.41 84.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.7 mtpp -69.82 -29.34 66.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.233 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.3 mt -72.77 -38.84 58.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.411 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 38.2 tt0 -62.21 -35.84 80.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.523 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 27.9 t70 -58.79 -28.92 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.942 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -80.69 -67.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.739 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.02 17.01 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.31 43.14 98.86 Favored Glycine 0 C--N 1.324 -0.13 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.137 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.411 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 23.7 mt -94.45 119.68 66.09 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.51 124.77 17.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.124 2.549 . . . . 0.0 112.882 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.404 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.6 Cg_exo -52.13 -39.33 71.07 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.609 2.873 . . . . 0.0 113.433 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.42 -17.14 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.964 0.411 . . . . 0.0 111.176 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.416 ' HB3' HE21 ' B' ' 40' ' ' GLN . 3.4 tt0 -95.5 -5.25 43.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.601 -176.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -103.28 139.1 39.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -175.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' B' ' 49' ' ' GLN . 15.8 tpp180 -129.02 103.81 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.514 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.44 132.61 34.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.282 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.61 122.83 68.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.998 0.427 . . . . 0.0 110.749 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 88.6 t80 -122.22 116.61 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.203 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 22.95 13.72 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.357 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.478 ' O ' ' HG2' ' A' ' 16' ' ' MET . . . 95.19 -3.81 66.91 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.143 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.586 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.7 ttmm -96.39 125.32 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.789 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.457 ' HB3' ' HD2' ' B' ' 42' ' ' ARG . 45.5 mt-30 -79.25 138.2 37.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.083 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.6 mt -97.82 125.95 42.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.08 166.02 11.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.63 168.99 19.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.068 0.461 . . . . 0.0 111.413 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.96 -47.45 2.94 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.093 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.419 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 9.0 mmm180 -78.55 163.95 25.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 31.9 p -96.03 168.08 10.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.643 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 3.4 mm? -63.59 -40.2 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.588 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.6 m -62.93 -27.47 69.4 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.521 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.52 -34.85 77.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.586 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 94.7 m-85 -91.34 10.61 26.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.147 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m120 66.52 27.04 9.82 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.82 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.427 HD12 HD12 ' B' ' 56' ' ' LEU . 59.0 mt -79.15 138.81 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.902 0.382 . . . . 0.0 110.225 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -104.93 -175.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.664 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.437 ' HG2' ' HG2' ' B' ' 1' ' ' MET . 67.8 mttm -84.84 138.78 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.289 175.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 34.3 mt-10 68.7 25.02 6.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.293 0.568 . . . . 0.0 110.702 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.456 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 13.8 p -86.52 163.14 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.451 HG23 ' HB2' ' B' ' 4' ' ' PHE . 29.0 m -111.1 133.01 53.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.056 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.93 150.23 40.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.327 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -92.63 127.98 38.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.254 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.74 106.87 17.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.203 0.525 . . . . 0.0 110.404 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.84 153.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.32 153.0 17.89 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.544 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' B' ' 74' ' ' ARG . 40.8 mtm180 -88.21 119.51 28.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.292 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 42' ' ' TRP . 83.9 mt -78.01 23.32 0.27 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.308 0.575 . . . . 0.0 110.528 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.461 ' H ' ' C ' ' B' ' 72' ' ' ARG . 23.1 mtp180 -116.73 10.43 14.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.895 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.38 57.8 0.61 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.615 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 119.107 -0.83 . . . . 0.0 111.061 -178.749 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptp . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.681 0.277 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.61 -26.38 21.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.625 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m 63.16 86.46 0.12 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.192 0.52 . . . . 0.0 110.393 -177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -97.9 119.41 36.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.094 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 m -151.06 106.36 3.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.448 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -80.05 97.79 6.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.637 0.732 . . . . 0.0 109.647 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HG3' ' HB ' ' A' ' 33' ' ' ILE . 9.3 ptmt -88.57 149.6 23.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.375 -173.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -91.42 142.54 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.05 144.48 15.05 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.055 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.744 HG12 ' HG2' ' A' ' 30' ' ' LYS . 50.8 mt -110.81 113.24 43.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.406 HG21 ' HB ' ' A' ' 25' ' ' ILE . 1.4 p -68.32 122.47 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.116 0.484 . . . . 0.0 110.344 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.67 -30.57 17.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.038 -173.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.617 ' HB2' ' HD1' ' A' ' 60' ' ' PHE . 70.6 m-85 -127.97 151.69 48.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 -174.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.75 144.7 43.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.04 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.592 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 59.7 t80 -146.22 118.73 8.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.752 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.523 ' HA ' HG23 ' A' ' 24' ' ' THR . 86.8 mtp -85.32 145.9 27.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.757 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.681 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -115.23 149.27 38.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -102.67 -25.87 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.725 0.297 . . . . 0.0 111.003 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 t -129.26 169.28 15.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.548 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -75.23 -15.07 60.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.25 -35.31 79.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.538 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.681 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 36.3 mt-10 -92.41 175.65 6.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.083 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' HG ' ' A' ' 47' ' ' LEU . 66.3 tp -132.09 125.33 31.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.128 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.523 HG23 ' HA ' ' A' ' 16' ' ' MET . 21.8 m -76.88 103.56 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.592 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.0 pt -100.47 147.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.161 -175.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -104.88 138.7 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.763 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -65.16 106.13 1.24 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.82 5.4 27.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.014 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -94.9 173.67 7.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.744 ' HG2' HG12 ' A' ' 10' ' ' ILE . 36.0 mtmm -120.95 140.41 51.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.569 HG12 HD23 ' A' ' 47' ' ' LEU . 35.7 m -132.23 153.21 37.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.82 -178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.441 ' CE2' HG22 ' A' ' 48' ' ' VAL . 46.7 m-85 -97.34 128.54 44.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.669 ' HB ' ' HG3' ' A' ' 7' ' ' LYS . 64.5 mt -85.32 105.57 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 3.5 mm? -66.27 -54.8 20.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.103 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -140.64 135.3 31.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.25 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -105.16 -22.62 13.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.394 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -120.2 3.39 10.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.179 -168.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -61.23 -45.32 95.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.253 0.549 . . . . 0.0 109.911 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 35.0 m -106.3 -89.88 0.43 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.465 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 39' ' ' SER . 76.4 tttt 165.17 -55.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.863 0.727 . . . . 0.0 109.541 175.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.1 -46.63 8.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.767 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -93.73 131.99 38.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.091 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -116.01 164.89 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.577 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 42.7 mtp -99.61 126.43 45.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.444 ' SG ' HG12 ' A' ' 33' ' ' ILE . 84.8 m -138.98 161.48 37.26 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.198 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 42.3 tt0 -132.4 129.13 38.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.154 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 31' ' ' VAL . 95.4 mt -66.95 124.12 22.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.441 HG22 ' CE2' ' A' ' 32' ' ' TYR . 57.7 t -59.15 -50.25 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.364 0.415 . . . . 0.0 111.441 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -82.98 -51.89 7.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -64.85 -28.4 69.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.638 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.18 66.14 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.561 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -116.72 125.29 51.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.627 0.251 . . . . 0.0 110.662 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 18.9 t -109.0 148.41 30.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.246 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.25 -175.57 41.96 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.67 131.59 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 35.9 m -131.15 153.56 81.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 8.4 Cg_exo -73.55 126.53 10.96 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.87 2.38 . . . . 0.0 111.593 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.524 ' HB3' HD21 ' B' ' 8' ' ' LEU . . . -55.61 -27.59 50.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.571 HE22 ' HB3' ' B' ' 68' ' ' HIS . 7.6 pt20 -63.76 -12.1 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.617 ' HD1' ' HB2' ' A' ' 13' ' ' TYR . 44.4 m-85 -104.34 -7.3 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.704 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 33' ' ' ILE . 46.5 mm -105.43 130.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 111.688 -174.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -105.09 107.29 58.52 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.183 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.47 115.13 2.29 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.69 2.26 . . . . 0.0 112.167 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 p -102.89 37.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.983 0.896 . . . . 0.0 110.233 -175.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -56.48 -71.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.331 173.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -151.48 4.85 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.152 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -78.37 -44.86 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.739 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -84.13 -30.09 26.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.5 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.8 m80 63.71 -174.62 0.16 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.867 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -101.21 29.95 4.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.461 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.678 179.461 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.808 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 22.8 ptt? . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.155 0.502 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.38 127.91 34.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.439 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.43 HD12 HD12 ' B' ' 67' ' ' LEU . 35.9 pt -116.51 138.13 48.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.97 96.21 7.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.214 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.761 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.5 t -80.57 97.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.851 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.0 mttm -98.72 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.122 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.509 HG22 HD23 ' B' ' 69' ' ' LEU . 70.9 p -71.49 168.55 17.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.511 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.646 HD12 HG23 ' B' ' 70' ' ' VAL . 8.4 tt -61.13 -30.22 70.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.5 p -77.12 -7.69 56.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.2 27.03 22.06 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.263 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 14.0 mmmm -94.42 135.65 35.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -103.35 106.69 17.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.869 0.366 . . . . 0.0 110.792 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.761 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 67.8 mt -100.36 109.16 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.222 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -87.94 112.59 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.93 134.38 55.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -175.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -94.76 102.78 14.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.51 156.93 42.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.803 0.335 . . . . 0.0 110.689 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.39 158.46 15.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.786 0.327 . . . . 0.0 110.549 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 4.4 p -71.8 -20.78 61.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.302 176.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -76.35 -10.78 59.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.029 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -88.92 160.25 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 40.5 p -93.41 156.47 16.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.793 0.33 . . . . 0.0 111.262 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.527 HG22 ' HE3' ' B' ' 27' ' ' LYS . 49.0 mm -60.37 -37.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.594 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.98 -47.52 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.149 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.578 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 22.8 t30 -74.77 -34.02 62.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -174.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.673 HG21 HD11 ' B' ' 56' ' ' LEU . 74.5 t -64.77 -41.33 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 110.223 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.527 ' HE3' HG22 ' B' ' 23' ' ' ILE . 97.5 mttt -60.88 -40.16 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -74.47 -21.01 59.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 69.0 mttm -66.97 -43.36 83.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.165 0.507 . . . . 0.0 109.65 170.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.81 -32.03 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.059 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 21.5 tm0? -65.47 -32.58 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.642 175.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.44 -34.1 69.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -77.98 -72.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.287 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.44 -23.92 20.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 111.639 -174.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.92 40.9 6.08 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.128 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -103.25 121.8 47.46 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.8 Cg_exo -55.81 131.84 48.45 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.008 2.472 . . . . 0.0 112.29 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.9 Cg_exo -57.56 -39.14 90.79 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.141 2.561 . . . . 0.0 112.756 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.582 . . . . 0.0 110.366 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -78.49 -13.71 59.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.695 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -92.24 121.01 33.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -121.11 108.1 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.2 mt -83.15 136.29 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 61.7 mt -117.45 117.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.484 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -112.87 99.29 7.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.234 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 25.47 11.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.483 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.69 -26.57 9.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.103 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 28.8 mtpp -71.83 134.73 46.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 111.053 -177.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -89.83 114.27 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.957 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.1 mp -86.35 104.76 16.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -91.43 170.1 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.374 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.24 169.79 16.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.624 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.18 -24.55 31.81 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.815 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.413 ' HD2' ' CG ' ' B' ' 58' ' ' ASP . 38.3 mmt180 -108.7 169.7 8.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.083 0.468 . . . . 0.0 111.877 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.1 p -95.7 178.5 5.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.493 175.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.673 HD11 HG21 ' B' ' 26' ' ' VAL . 6.6 mp -76.04 -23.17 55.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 110.052 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.2 t -68.92 -35.55 76.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.03 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 31.2 m-20 -62.5 -35.35 79.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.441 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -89.78 6.08 43.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m120 62.34 33.05 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.647 0.592 . . . . 0.0 111.066 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.507 HD11 HD21 ' B' ' 50' ' ' LEU . 69.8 mt -72.98 135.85 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -114.59 -178.68 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.808 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 37.8 mtmm -71.04 140.55 50.79 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.804 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 63.74 33.29 13.06 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.891 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -76.9 146.14 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.279 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -95.37 106.6 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.71 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.43 HD12 HD12 ' B' ' 3' ' ' ILE . 95.3 mt -103.72 119.33 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.571 ' HB3' HE22 ' A' ' 59' ' ' GLN . 40.7 m-70 -89.87 126.44 35.71 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.672 178.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.509 HD23 HG22 ' B' ' 7' ' ' THR . 53.1 tp -96.73 103.61 15.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.646 HG23 HD12 ' B' ' 8' ' ' LEU . 4.8 p -98.16 136.43 29.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.26 140.67 29.24 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.243 0.544 . . . . 0.0 111.674 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -77.39 127.42 32.53 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 173.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.78 13.15 0.54 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -174.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -146.79 90.84 1.95 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.93 10.14 40.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.354 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.902 -0.943 . . . . 0.0 111.566 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 7.2 mmt . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.7 0.286 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.17 -175.95 5.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 m 65.41 -166.72 0.22 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.659 0.6 . . . . 0.0 110.594 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 30.2 tptt -119.46 159.31 24.51 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -72.38 -17.87 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.785 0.326 . . . . 0.0 111.32 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.605 ' HD3' ' HA ' ' A' ' 34' ' ' LEU . 97.4 mttt -119.48 173.21 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 -177.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 47.3 mtpt -99.93 175.11 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.052 0.453 . . . . 0.0 112.009 -169.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -127.91 149.17 50.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.119 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.8 166.24 34.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.192 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.55 HG12 ' HD2' ' A' ' 30' ' ' LYS . 62.4 mt -131.1 130.07 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.454 HG21 HD12 ' A' ' 25' ' ' ILE . 7.7 p -80.34 129.82 36.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.329 0.585 . . . . 0.0 110.699 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -95.74 -16.2 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.896 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 11' ' ' VAL . 96.8 m-85 -122.75 -174.91 3.03 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -102.26 163.67 12.11 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.472 ' HB3' HG12 ' A' ' 25' ' ' ILE . 61.8 t80 -156.05 116.01 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.022 0.439 . . . . 0.0 110.804 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mmm -94.39 120.2 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.979 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -94.54 157.07 16.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -130.87 -33.97 1.53 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.104 0.478 . . . . 0.0 109.944 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.6 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 12.3 t -84.42 152.32 24.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.592 -174.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.84 -20.61 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.596 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.641 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 55.4 mt-10 -81.53 170.98 15.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.126 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 45.5 tp -135.97 116.49 13.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.612 0.244 . . . . 0.0 110.809 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.8 m -71.93 113.85 9.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.529 177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' A' ' 15' ' ' PHE . 24.1 pt -123.49 153.32 29.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.263 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -118.28 157.32 27.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.209 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.21 112.94 1.71 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.72 0.13 29.0 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.227 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.96 145.05 54.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 111.061 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.55 ' HD2' HG12 ' A' ' 10' ' ' ILE . 13.5 tptp -96.04 118.26 32.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.337 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -130.48 153.48 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 112.485 -174.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 25.5 m-85 -97.63 132.88 42.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.668 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.3 mt -87.15 96.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 56.5 mt -71.94 -59.62 2.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.297 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -137.69 124.12 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.265 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 6.4 p-10 -121.02 25.64 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.583 0.706 . . . . 0.0 109.482 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -117.24 -29.15 5.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.391 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -37.71 81.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 111.026 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 169.01 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 40' ' ' LYS . 16.2 tptp -109.04 3.39 22.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.761 0.791 . . . . 0.0 109.667 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.66 ' HB3' HD11 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -120.71 -63.44 1.35 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.074 -173.393 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.487 ' HB3' ' HG ' ' A' ' 55' ' ' LEU . 80.6 m95 -98.61 123.53 42.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 36' ' ' ASP . 40.9 m0 -115.47 162.1 17.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.289 -176.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.569 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 69.7 mmm -92.31 106.57 18.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.733 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 87.1 m -115.96 141.08 48.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.096 0.474 . . . . 0.0 110.296 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -119.49 129.1 54.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.531 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' HG ' HD21 ' A' ' 23' ' ' LEU . 88.4 mt -64.64 116.84 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 32' ' ' TYR . 89.1 t -53.23 -55.12 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.76 -18.52 58.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.863 0.363 . . . . 0.0 111.905 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -102.9 -30.41 10.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.92 -172.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.04 -11.11 65.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -73.99 121.22 20.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.1 m -102.41 143.62 31.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.516 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.695 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -155.45 177.83 32.41 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.769 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 42' ' ' TRP . 20.1 tp -97.46 122.35 40.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -177.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.1 158.89 74.3 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.623 0.249 . . . . 0.0 111.146 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.85 129.8 13.83 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.997 2.465 . . . . 0.0 112.48 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.09 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.611 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -75.88 12.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.28 -6.28 4.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.06 128.48 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.622 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.615 ' HG3' ' HB3' ' A' ' 68' ' ' LYS . 7.8 tp10 -108.44 104.21 53.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.27 147.88 83.93 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.963 2.442 . . . . 0.0 112.268 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.458 ' HB ' ' HG2' ' A' ' 68' ' ' LYS . 7.5 p -123.16 117.71 52.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -103.99 -64.24 1.12 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -122.88 -43.01 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 168.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -138.22 135.23 35.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.615 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 10.1 mtmp? -64.91 -46.96 79.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.2 0.524 . . . . 0.0 110.886 -176.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 118.13 18.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.72 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 p -63.97 -32.98 74.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.151 0.501 . . . . 0.0 110.088 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.032 172.502 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' B' ' 18' ' ' GLU . 6.3 ptm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.365 0.602 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 78.0 mt-30 -93.97 128.35 40.25 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.909 177.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.464 HD12 HD12 ' B' ' 67' ' ' LEU . 27.5 pt -117.55 142.61 30.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.025 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -96.72 93.84 6.95 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.31 119.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.667 0.746 . . . . 0.0 110.568 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -103.34 114.66 29.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.736 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.606 HG22 HD23 ' B' ' 69' ' ' LEU . 80.9 p -74.1 178.14 5.24 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 41' ' ' ASP . 3.5 tt -50.48 -52.22 40.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.396 176.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -26.24 65.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.854 -173.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.12 -6.4 12.03 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.462 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.416 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.0 tptm -58.65 114.49 2.52 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.208 -0.496 . . . . 0.0 110.08 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.8 m -97.97 118.32 34.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.966 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.65 122.09 68.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.2 m -80.23 110.91 16.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.57 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.16 129.49 55.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 -172.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.76 107.49 18.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.163 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.57 HG13 HD12 ' B' ' 15' ' ' LEU . 34.6 m -134.05 -177.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.337 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 47.7 mt-10 -128.9 170.91 12.83 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.459 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 5.5 p -66.79 -32.74 74.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.162 0.506 . . . . 0.0 110.25 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -79.56 -4.57 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.111 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -66.64 144.16 56.56 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.029 175.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 26' ' ' VAL . 31.8 p -87.05 149.32 24.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.52 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 50.1 mm -55.9 -34.37 37.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 36.8 t70 -72.63 -32.11 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.104 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -65.05 -39.37 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.348 0.594 . . . . 0.0 109.579 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 22' ' ' THR . 16.3 t -63.78 -39.7 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.654 176.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 95.9 mttt -56.47 -47.42 79.26 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.557 175.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -60.41 -40.34 90.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.935 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HB3' HD11 ' B' ' 15' ' ' LEU . 99.6 mttt -66.59 -29.21 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -80.71 -40.99 19.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.012 0.434 . . . . 0.0 110.47 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.65 -34.78 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.433 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.34 -25.81 50.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.028 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -107.82 -60.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.881 -174.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.429 ' HB3' HG13 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -88.19 -13.4 41.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.764 0.316 . . . . 0.0 111.804 -176.281 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.07 60.55 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.663 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.466 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 62.6 mt -89.01 118.49 69.27 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.486 0.184 . . . . 0.0 110.568 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.537 ' HB2' ' OD1' ' B' ' 39' ' ' ASP . 9.3 Cg_endo -54.14 135.26 63.87 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.173 2.582 . . . . 0.0 112.494 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -57.05 -33.57 95.97 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.399 2.732 . . . . 0.0 113.004 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.537 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 16.8 p-10 -72.11 -23.93 61.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.668 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 8.5 tt0 -82.87 -26.82 31.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.29 0.567 . . . . 0.0 110.144 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.433 ' HG3' HG22 ' B' ' 36' ' ' ILE . 48.1 mt-30 -77.59 111.42 13.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.17 -175.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -113.4 112.79 24.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.443 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.9 mm? -86.67 134.59 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -177.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -124.74 128.48 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.131 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -112.76 94.63 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.331 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.53 17.22 4.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.509 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.01 -24.4 6.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.365 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' B' ' 48' ' ' LYS . 4.7 ttmp? -85.42 118.1 24.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -73.82 136.01 43.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.443 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 41.7 mt -106.96 113.76 27.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.36 151.71 20.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.746 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.475 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.2 p-10 -74.07 159.14 33.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.49 13.14 68.39 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -171.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -134.28 157.89 45.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -102.58 170.45 8.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.7 mp -72.6 -28.24 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -62.04 -37.54 85.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.66 -53.23 60.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.449 -176.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -84.73 3.4 37.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.297 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 54.22 65.25 1.56 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 111.039 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.9 mt -94.14 122.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.01 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -72.94 164.58 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.534 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.27 156.84 20.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 38.3 mt-10 64.96 22.66 12.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.387 0.613 . . . . 0.0 109.937 -176.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 p -82.97 163.61 20.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.36 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -109.76 125.45 52.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.464 HD12 HD12 ' B' ' 3' ' ' ILE . 88.9 mt -115.71 140.31 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.017 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -98.83 130.47 45.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.718 0.294 . . . . 0.0 110.224 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.606 HD23 HG22 ' B' ' 7' ' ' THR . 56.4 tp -106.1 98.47 8.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.404 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.14 130.3 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' B' ' 8' ' ' LEU . 2.9 mm? -92.95 125.99 37.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.323 0.583 . . . . 0.0 111.697 -171.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.668 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 65.7 ttt180 -72.38 112.94 8.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.11 55.89 0.59 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -165.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 43.93 80.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.346 1.058 . . . . 0.0 112.529 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.37 -151.84 13.44 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.476 -1.18 . . . . 0.0 111.568 178.51 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.794 0.331 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.95 86.02 6.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.157 0.503 . . . . 0.0 111.055 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m -124.75 148.28 48.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.033 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp 64.69 83.13 0.17 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.676 0.61 . . . . 0.0 110.505 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -126.08 -35.95 2.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.374 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 33' ' ' ILE . 71.6 mmtt 62.74 -167.3 0.21 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.814 177.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.624 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 61.9 mttp -86.49 160.78 18.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -109.43 145.42 36.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.68 149.6 21.58 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.526 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.498 HG13 HG22 ' A' ' 64' ' ' VAL . 68.9 mt -115.33 111.74 36.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 25' ' ' ILE . 2.9 p -72.11 133.81 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 111.173 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.41 -35.7 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.959 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -100.73 150.75 22.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 0.0 111.054 -176.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.429 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 11.2 m-20 -87.12 91.68 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.92 126.71 34.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.293 -174.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -93.82 123.19 37.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 124.35 32.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.804 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -76.89 -66.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.054 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -83.63 170.3 14.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.72 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -77.59 -20.84 53.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 109.924 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.99 -20.84 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.983 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -91.63 158.35 16.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.573 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.2 tp -125.38 126.28 44.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 0.0 111.455 -176.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -73.64 112.92 10.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.26 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.56 HD12 HG21 ' A' ' 11' ' ' VAL . 7.7 pt -116.45 144.57 23.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -105.6 143.04 34.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.923 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -58.38 116.98 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.062 0.458 . . . . 0.0 110.553 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.19 -10.29 31.35 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.714 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.35 146.06 55.04 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.149 0.5 . . . . 0.0 110.679 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.9 tppt? -97.69 118.53 34.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 47' ' ' LEU . 35.3 m -124.61 150.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.281 0.563 . . . . 0.0 111.692 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -98.35 134.4 41.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.359 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.624 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 49.7 mt -93.22 100.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.897 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.44 -63.95 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.547 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.66 ' H ' ' HB2' ' A' ' 44' ' ' MET . 47.9 t0 -112.2 125.66 54.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.2 p-10 -137.4 -26.65 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -172.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.29 -22.12 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.068 -0.395 . . . . 0.0 111.873 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -36.8 74.82 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -136.82 118.87 15.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.788 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -90.36 -6.24 55.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.097 0.475 . . . . 0.0 110.566 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' B' ' 8' ' ' LEU . 4.1 m-20 -84.66 -49.76 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -131.37 127.63 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.984 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.429 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 35.9 m0 -101.97 157.46 16.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.032 0.444 . . . . 0.0 111.614 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.66 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.6 mmm -92.4 102.04 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.995 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.581 ' SG ' HD23 ' A' ' 23' ' ' LEU . 29.6 p -100.57 146.81 26.65 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.485 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 50.0 tt0 -125.67 124.99 42.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.0 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.629 HD23 HG12 ' A' ' 31' ' ' VAL . 90.9 mt -76.12 133.93 40.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 30' ' ' LYS . 80.7 t -69.5 -36.81 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.84 -70.73 0.19 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 p -77.05 -50.64 12.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.904 0.383 . . . . 0.0 111.41 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.55 -0.25 29.24 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.367 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.6 155.76 40.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.636 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -131.19 160.85 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.618 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -179.44 169.3 40.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.866 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.96 130.94 35.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.626 0.251 . . . . 0.0 110.682 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 HD13 ' A' ' 25' ' ' ILE . 27.1 m -140.2 157.18 69.43 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.308 177.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.4 131.22 44.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.796 2.33 . . . . 0.0 112.511 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.44 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.225 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.541 HE22 HG22 ' B' ' 70' ' ' VAL . 11.9 pm0 -85.01 3.76 37.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.859 0.361 . . . . 0.0 111.361 -174.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -91.59 -9.2 45.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.073 0.464 . . . . 0.0 110.271 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.427 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 41.4 mm -111.12 126.58 68.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.433 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -92.65 107.88 27.48 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.455 ' HG2' ' HD2' ' A' ' 68' ' ' LYS . 27.3 Cg_exo -62.18 129.03 25.63 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.298 1.998 . . . . 0.0 111.054 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 10' ' ' ILE . 4.9 t -76.01 78.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.785 0.802 . . . . 0.0 109.79 -177.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 65' ' ' ARG . 38.8 ttt-85 -163.91 -54.58 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.103 -1.408 . . . . 0.0 107.32 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -170.47 -173.16 1.37 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.293 -1.321 . . . . 0.0 108.41 173.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.513 ' HE2' ' HB2' ' A' ' 69' ' ' HIS . 7.0 ttpm? -69.75 -19.12 63.54 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 63.8 tttm 59.43 42.17 18.29 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.574 0.702 . . . . 0.0 110.228 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.513 ' HB2' ' HE2' ' A' ' 67' ' ' LYS . 15.7 t60 -97.14 135.02 39.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.795 -175.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.2 p 49.16 93.9 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.228 0.955 . . . . 0.0 113.053 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 C--O 1.244 0.79 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.821 -179.755 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.462 ' HB2' ' HG2' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -128.7 141.91 51.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.383 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.523 HD12 HD12 ' B' ' 67' ' ' LEU . 37.3 pt -125.41 158.34 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -106.03 107.54 18.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.119 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.3 t -84.54 98.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -101.73 110.23 22.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.717 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.654 HG22 HD23 ' B' ' 69' ' ' LEU . 62.5 p -82.61 -174.45 5.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.496 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.642 HD13 ' HA ' ' A' ' 41' ' ' ASP . 25.3 mt -74.11 -31.71 62.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.539 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 p -90.41 9.09 30.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.901 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.09 49.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.753 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -62.86 117.34 6.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.871 0.367 . . . . 0.0 110.201 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 17.2 m -123.88 114.11 19.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.415 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.426 HG13 ' HB ' ' B' ' 5' ' ' VAL . 20.9 pt -108.76 145.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.451 . . . . 0.0 111.283 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -90.62 112.02 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.712 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -106.8 128.12 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.876 -172.173 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -80.47 106.38 12.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.472 0.653 . . . . 0.0 111.015 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.712 HG13 HD12 ' B' ' 15' ' ' LEU . 15.8 m -141.64 153.08 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.927 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 4.6 tp10 -111.62 173.24 6.44 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 7.2 m -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 0.0 110.409 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -81.27 -8.77 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.968 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -70.19 128.1 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.177 0.513 . . . . 0.0 110.904 -178.311 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.474 ' O ' HG23 ' B' ' 26' ' ' VAL . 9.9 p -81.29 151.11 28.22 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.962 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.557 HG22 ' HE3' ' B' ' 27' ' ' LYS . 43.1 mm -57.04 -40.42 72.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.677 0.275 . . . . 0.0 110.583 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.56 -43.96 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.409 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -70.19 -39.36 75.27 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.525 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 22' ' ' THR . 48.9 t -58.84 -42.47 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.557 ' HE3' HG22 ' B' ' 23' ' ' ILE . 98.6 mttt -58.3 -45.26 88.34 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.194 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.5 p -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 111.189 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HB3' HD11 ' B' ' 15' ' ' LEU . 95.3 mttt -67.15 -38.99 86.44 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.4 mt -71.0 -35.25 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.94 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.42 -24.31 66.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.08 -32.13 66.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 0.0 110.546 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -92.68 -63.05 1.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.729 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.37 -24.11 22.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.03 45.6 25.62 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.076 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.9 130.34 23.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.8 Cg_endo -56.54 129.93 37.34 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.964 2.443 . . . . 0.0 112.385 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -59.75 -27.47 85.02 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.281 2.654 . . . . 0.0 112.622 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.7 -35.56 80.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.358 0.599 . . . . 0.0 110.678 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.464 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 23.5 tt0 -81.9 -31.59 31.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.997 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.437 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 49.4 mt-30 -79.89 121.16 25.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.037 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -131.92 116.61 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.355 0.598 . . . . 0.0 110.435 166.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.435 HD13 HD13 ' B' ' 67' ' ' LEU . 63.9 mt -81.18 132.61 35.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.289 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.401 HD12 HG21 ' B' ' 70' ' ' VAL . 55.1 mt -119.51 126.12 75.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.018 0.437 . . . . 0.0 110.257 176.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -127.8 116.16 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.2 25.88 15.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.44 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 98.41 -14.17 62.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.754 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -85.95 129.38 34.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -86.94 115.8 24.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.467 HD21 HD11 ' B' ' 61' ' ' ILE . 10.0 mp -70.29 112.9 6.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 9.3 tp10 -64.88 146.98 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.584 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.37 -37.42 77.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.709 -174.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' B' ' 51' ' ' GLU . . . -99.04 26.21 25.18 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.294 -176.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.528 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 10.3 mmt180 -107.39 170.39 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.078 0.439 . . . . 0.0 111.159 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -106.94 167.63 9.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.12 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.56 -26.4 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.026 0.441 . . . . 0.0 110.446 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 34.3 t -69.42 -34.43 74.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.719 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -64.27 -36.35 83.8 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.849 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.417 ' CZ ' ' HA ' ' B' ' 50' ' ' LEU . 82.5 m-85 -90.92 1.68 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 58.86 71.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.814 0.816 . . . . 0.0 110.267 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.467 HD11 HD21 ' B' ' 50' ' ' LEU . 69.2 mt -110.93 125.22 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.708 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -99.28 -176.17 3.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' B' ' 1' ' ' MET . 8.6 mtmp? -67.95 140.74 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.695 0.283 . . . . 0.0 111.27 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 67.33 20.18 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.575 171.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.6 m -70.86 133.09 46.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.712 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.3 m -88.78 114.79 25.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.866 0.365 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.523 HD12 HD12 ' B' ' 3' ' ' ILE . 81.6 mt -97.37 129.35 44.63 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.782 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.456 ' HB3' HE21 ' A' ' 59' ' ' GLN . 91.6 m-70 -85.62 109.12 18.34 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.654 HD23 HG22 ' B' ' 7' ' ' THR . 43.8 tp -83.67 104.18 13.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.024 0.44 . . . . 0.0 110.573 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.541 HG22 HE22 ' A' ' 59' ' ' GLN . 44.8 t -101.11 132.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.464 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 2.8 mm? -97.02 132.62 42.64 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.265 0.555 . . . . 0.0 111.074 -173.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -85.05 130.85 34.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.48 90.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.464 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -136.49 107.45 6.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.651 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.24 73.99 1.93 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.873 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.524 -1.153 . . . . 0.0 111.767 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.1 -44.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.438 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 51.58 85.99 0.04 OUTLIER 'General case' 0 C--O 1.237 0.398 0 O-C-N 124.009 0.818 . . . . 0.0 111.084 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 24.1 ttpp 63.47 89.42 0.09 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.982 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -73.41 148.77 43.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.276 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.794 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -78.84 149.42 32.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.311 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.711 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 91.4 mttt -86.68 157.59 19.63 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 8' ' ' ARG . 62.0 mtt85 -126.66 141.21 51.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.57 178.94 30.27 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.95 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -131.33 135.57 59.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 29' ' ' ASP . 2.4 p -76.19 122.91 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 110.294 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -98.09 -29.76 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.015 -172.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 89.0 m-85 -119.44 158.46 26.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.974 0.416 . . . . 0.0 111.214 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.556 ' HB3' ' HA3' ' B' ' 47' ' ' GLY . 18.7 t0 -80.36 123.91 28.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.691 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.555 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 79.4 t80 -128.51 110.18 12.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.958 0.408 . . . . 0.0 111.293 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.731 ' HA ' HG23 ' A' ' 24' ' ' THR . 25.4 ptm -91.08 130.42 36.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.841 173.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -90.71 153.81 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.64 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.53 ' HG2' ' NH2' ' B' ' 42' ' ' ARG . 11.4 pt-20 -116.93 -12.24 10.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.038 0.447 . . . . 0.0 109.975 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 m -121.63 157.01 31.74 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.899 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -74.08 -25.9 60.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.45 -23.33 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.662 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 45.1 mt-10 -77.26 171.41 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.147 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.537 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 50.3 tp -127.56 109.74 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.428 177.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.731 HG23 ' HA ' ' A' ' 16' ' ' MET . 33.7 m -64.95 105.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.944 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.555 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 15.1 pt -109.21 138.52 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.3 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -106.61 127.59 53.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.852 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -52.12 132.44 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.414 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -14.19 30.77 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.115 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.442 ' O ' HG12 ' A' ' 11' ' ' VAL . 37.3 t0 -86.62 153.13 22.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 110.074 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 80.9 tttt -91.54 137.05 32.67 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 61' ' ' ILE . 16.3 m -129.78 147.6 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.389 0.614 . . . . 0.0 111.678 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' CE2' HG22 ' A' ' 48' ' ' VAL . 60.4 m-85 -98.53 123.72 42.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.482 173.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.8 mt -84.92 102.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.995 0.426 . . . . 0.0 109.947 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 89.0 mt -66.54 -46.82 74.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.836 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.571 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 5.8 t0 -153.31 142.63 21.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.062 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -110.48 -11.49 14.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.217 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 55.0 mtmt -141.71 27.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.848 -173.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 28.1 mmtm -69.97 -47.49 62.07 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 m -105.54 -5.81 19.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.554 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 80.6 tttt 70.17 -69.45 0.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.084 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.572 ' HB3' HD22 ' B' ' 8' ' ' LEU . 21.1 m-20 -79.57 -17.6 53.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.59 0.71 . . . . 0.0 110.227 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' HH2' ' OE2' ' A' ' 22' ' ' GLU . 12.0 m95 -115.85 132.94 56.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.954 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -111.03 159.07 18.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.244 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.452 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 18.9 mtp -108.21 112.7 25.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.9 m -124.69 148.13 48.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.068 0.461 . . . . 0.0 111.615 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 5.6 tt0 -121.85 129.76 52.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.213 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 31' ' ' VAL . 90.8 mt -68.58 134.91 50.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.543 HG22 ' CE2' ' A' ' 32' ' ' TYR . 73.6 t -63.2 -51.21 74.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -69.56 -60.88 2.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.875 0.369 . . . . 0.0 111.481 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.3 p -74.16 -39.55 63.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.03 4.18 60.16 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.037 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -66.98 121.91 16.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.304 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 2.6 m -116.29 135.74 53.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.19 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -163.68 -176.26 35.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.62 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.63 132.13 35.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.818 0.342 . . . . 0.0 110.693 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.93 154.69 77.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 49.3 Cg_endo -71.64 142.76 40.64 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.403 2.069 . . . . 0.0 112.398 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -25.77 67.8 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 47.7 mt-30 -70.34 -3.76 18.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.509 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 4.1 m-85 -114.87 -8.2 12.57 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.985 -170.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 31' ' ' VAL . 44.1 mm -115.65 127.85 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 111.13 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.57 108.29 58.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.483 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.578 ' HD2' ' HD2' ' A' ' 68' ' ' LYS . 32.0 Cg_exo -59.04 127.4 24.1 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.473 2.115 . . . . 0.0 111.533 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m -91.84 28.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.726 -173.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -77.42 85.46 3.81 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 65.84 -87.99 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.905 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -147.22 -7.47 0.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -176.774 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 51.0 mtpt 69.45 115.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.296 0.57 . . . . 0.0 110.98 -176.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -98.73 81.52 2.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.701 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.3 m 58.45 64.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.78 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 26.6 tt0 . . . . . 0 C--O 1.243 0.724 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.709 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.401 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 121.193 0.521 . . . . 0.0 110.574 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 94.6 mt-30 -81.62 140.28 34.52 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.886 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -117.79 143.33 28.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.415 171.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -99.06 92.64 5.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.708 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.732 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -89.67 109.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.673 0.749 . . . . 0.0 110.192 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 61.8 mttp -95.8 113.63 25.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.815 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 81.2 p -71.9 159.64 33.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.849 -177.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 41' ' ' ASP . 3.2 tt -58.99 -33.66 70.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.15 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -66.33 -36.8 83.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.35 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.12 47.39 0.2 Allowed Glycine 0 CA--C 1.505 -0.544 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.762 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 16.4 tppt? -128.7 112.96 14.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.603 0.24 . . . . 0.0 110.577 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.2 m -83.09 95.93 8.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.438 . . . . 0.0 110.122 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.732 ' HB ' HG13 ' B' ' 5' ' ' VAL . 62.2 mt -90.7 136.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.309 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -99.04 113.07 25.09 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -117.75 135.19 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.788 -175.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -92.27 105.92 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.34 179.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 28.5 tt0 -122.18 151.06 41.39 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.915 -0.491 . . . . 0.0 110.469 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -58.79 -28.5 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.424 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -95.06 12.65 27.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.549 -179.343 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.569 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -80.93 161.14 24.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.687 178.375 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.0 p -87.56 152.61 22.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.627 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.1 mm -60.92 -30.75 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.42 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.073 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -61.84 -45.86 91.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.745 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 65.2 t -58.83 -45.83 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.734 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 83.5 mttt -58.74 -42.65 89.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.314 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 t -65.1 -39.0 92.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.455 . . . . 0.0 110.766 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' B' ' 15' ' ' LEU . 30.2 mtpp -70.42 -29.0 65.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.7 mt -74.76 -35.63 37.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.32 -32.21 71.01 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.176 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.79 -33.5 74.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.321 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -87.34 -58.78 2.46 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.636 -174.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -91.79 -15.34 28.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 35.52 63.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.23 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.456 HG23 HE21 ' B' ' 40' ' ' GLN . 59.7 mt -106.02 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -177.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 73.6 Cg_exo -50.89 131.37 34.17 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.168 2.578 . . . . 0.0 112.777 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.44 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 23.9 Cg_exo -64.24 -30.37 64.22 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.182 2.588 . . . . 0.0 112.496 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.52 -24.97 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.17 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.456 HE21 HG23 ' B' ' 36' ' ' ILE . 28.0 tt0 -90.02 -36.44 14.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.679 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.454 ' HB3' HD11 ' B' ' 69' ' ' LEU . 26.6 mt-30 -63.74 117.12 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.53 ' NH2' ' HG2' ' A' ' 18' ' ' GLU . 60.5 mtp180 -119.96 120.51 36.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.809 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 97.7 mt -97.53 132.72 42.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.22 128.47 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.186 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -130.64 114.21 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.958 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.59 18.86 9.9 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.556 ' HA3' ' HB3' ' A' ' 14' ' ' ASP . . . 99.85 -10.3 60.48 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -87.68 129.41 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.72 123.33 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 10.7 mp -82.5 105.61 13.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.992 0.425 . . . . 0.0 110.392 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -89.9 133.99 34.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.627 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.7 p-10 -76.51 141.61 41.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.13 -173.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.08 -30.15 6.7 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -89.23 -178.19 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 48.3 p -107.99 168.85 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.54 176.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 18' ' ' GLU . 97.3 mt -68.65 -23.15 64.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.226 0.536 . . . . 0.0 110.303 176.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.1 t -71.11 -21.61 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.49 -33.67 74.18 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' B' ' 50' ' ' LEU . 62.1 m-85 -106.17 11.19 31.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 52.57 48.91 21.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.236 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.34 126.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -90.1 -176.14 4.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.246 -176.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 93.7 mttt -74.65 146.38 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.952 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 67.43 24.39 8.84 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 172.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -79.99 151.34 30.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.432 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -98.58 129.48 45.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.144 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 77.8 mt -117.35 142.91 46.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.429 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -103.75 127.14 51.25 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.283 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.595 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 62.1 tp -97.91 107.21 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.189 0.519 . . . . 0.0 111.118 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.2 t -104.84 123.79 59.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.534 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.12 138.82 41.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 60.8 ttm-85 -67.61 -25.77 65.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.087 176.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 23.8 tp 56.88 44.39 23.27 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.388 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -85.26 72.3 10.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.885 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.59 -72.83 0.7 Allowed Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.756 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 118.009 -1.439 . . . . 0.0 111.075 179.041 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.895 0.379 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.35 119.08 34.18 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -56.4 -62.16 1.91 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.015 0.436 . . . . 0.0 109.847 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -142.2 -75.27 0.29 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 173.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -145.77 -49.56 0.23 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 169.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -135.73 153.7 51.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 169.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.752 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 43.6 mttp -84.85 165.24 17.89 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.506 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -126.03 140.56 52.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.104 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -148.25 167.3 29.02 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.44 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.513 ' CD1' ' HB ' ' A' ' 64' ' ' VAL . 2.4 mp -113.51 125.38 70.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 p -75.73 116.59 18.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.422 0.63 . . . . 0.0 110.432 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.453 ' OE1' ' HE2' ' A' ' 68' ' ' LYS . 15.6 mm100 -83.6 -36.86 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.927 -172.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.8 147.01 49.55 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.196 -0.201 . . . . 0.0 110.75 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.08 149.66 47.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.005 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.598 ' HB3' HG12 ' A' ' 25' ' ' ILE . 71.0 t80 -144.34 109.94 5.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.861 0.363 . . . . 0.0 110.316 177.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.3 mmt -89.64 107.72 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.622 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -77.02 177.71 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.724 -175.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -141.62 -41.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.113 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -86.91 170.32 11.73 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -78.0 -17.2 57.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.382 . . . . 0.0 110.396 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.72 -36.81 78.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.579 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 1.7 mp0 -87.86 148.32 24.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.08 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.54 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 60.0 tp -111.69 127.8 55.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.291 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -73.08 101.24 3.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.276 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.598 HG12 ' HB3' ' A' ' 15' ' ' PHE . 20.6 pt -103.09 145.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -114.11 128.34 56.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.124 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.6 t -55.38 122.08 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.16 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.81 -3.84 45.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.691 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.24 178.5 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -112.2 120.42 41.72 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 28.7 m -122.14 137.39 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.4 0.619 . . . . 0.0 112.255 -177.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CD2' HG22 ' A' ' 48' ' ' VAL . 10.5 m-85 -87.95 117.65 26.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.616 170.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.752 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 60.8 mt -82.29 106.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.514 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 61.8 mt -69.25 -41.57 76.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.837 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 13.6 t70 -161.48 141.03 10.27 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.999 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HB3' HG21 ' A' ' 33' ' ' ILE . 13.9 p-10 -138.76 19.14 2.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.839 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -123.88 -34.35 3.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.028 -172.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 43.6 mmtm -65.83 -27.42 68.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.684 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -133.85 145.76 49.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.95 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -92.76 -27.22 17.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -81.81 -69.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.471 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -104.81 137.96 41.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.916 0.389 . . . . 0.0 110.48 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.5 m0 -113.54 161.7 17.06 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.514 ' HG3' ' HB2' ' A' ' 34' ' ' LEU . 7.4 ptp -113.88 123.8 50.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.177 178.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.56 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 29.4 p -125.09 164.24 20.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.455 -178.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 26.0 tt0 -133.37 122.27 23.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.883 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.445 HD23 HG12 ' A' ' 31' ' ' VAL . 89.8 mt -60.73 123.7 18.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.585 HG22 ' CD2' ' A' ' 32' ' ' TYR . 97.3 t -60.33 -47.6 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -41.95 62.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.683 0.278 . . . . 0.0 110.947 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -83.38 -31.72 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.717 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.93 34.73 58.67 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.662 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 46' ' ' GLN . 26.6 mtpp -112.68 134.55 54.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -118.44 149.95 40.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -175.52 -178.87 45.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.41 136.82 32.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.477 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.89 157.65 71.27 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.278 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.629 ' HB3' HG21 ' B' ' 70' ' ' VAL . 24.0 Cg_exo -64.06 132.31 33.88 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.431 2.087 . . . . 0.0 111.839 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -28.94 62.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 111.726 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.73 0.44 17.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.9 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -110.44 -5.69 15.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.488 HD12 HG21 ' A' ' 31' ' ' VAL . 43.2 mm -120.43 138.14 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.199 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 9.6 tp10 -115.17 106.76 50.77 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.682 173.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 62' ' ' GLU . 18.0 Cg_endo -60.79 128.5 25.82 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.72 2.28 . . . . 0.0 111.774 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.513 ' HB ' ' CD1' ' A' ' 10' ' ' ILE . 4.8 p -102.54 148.42 7.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.038 0.447 . . . . 0.0 110.598 -175.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.851 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 12.9 ptm180 -140.68 -82.15 0.24 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.985 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.851 ' H ' ' HG3' ' A' ' 65' ' ' ARG . 6.9 m-20 -92.03 -44.97 8.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -165.73 155.84 12.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.816 -1.083 . . . . 0.0 108.922 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' HE2' ' OE1' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -112.88 -7.34 13.76 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.822 171.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -84.27 123.43 30.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.1 t -166.08 -177.47 4.19 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.674 179.768 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.749 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.192 0.52 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -87.73 134.17 33.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.569 ' HB ' HD13 ' B' ' 67' ' ' LEU . 34.6 pt -118.51 135.13 59.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 172.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -89.06 101.87 14.52 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -87.97 99.01 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.212 0.529 . . . . 0.0 110.671 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -81.9 109.24 16.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.505 174.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.586 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 47.4 p -79.21 153.6 29.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.934 0.397 . . . . 0.0 110.343 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 8' ' ' LEU . 5.3 tt -65.25 -20.57 66.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.694 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.8 p -78.17 -3.8 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.401 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 30.0 8.12 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.775 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.469 ' HB2' ' OG1' ' B' ' 7' ' ' THR . 48.6 mmtm -116.12 169.66 9.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -142.22 107.75 5.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.6 mt -108.26 113.33 43.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.695 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.0 m -72.16 112.32 8.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.841 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.64 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -112.28 124.61 52.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.58 113.57 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.413 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.64 HG13 HD12 ' B' ' 15' ' ' LEU . 12.0 m -140.86 157.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.683 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.618 ' O ' HD12 ' B' ' 56' ' ' LEU . 3.0 mp0 -104.19 161.96 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 14.4 m -66.1 -19.0 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -77.4 -14.35 59.73 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.35 146.11 50.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.131 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.785 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.3 p -88.48 158.76 18.24 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 30.6 mm -57.88 -30.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 173.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 24.1 t70 -62.55 -46.96 85.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.837 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.408 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 54.3 t30 -72.97 -33.81 66.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 22' ' ' THR . 47.1 t -62.33 -41.76 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 87.5 mttt -57.17 -40.87 78.18 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.391 174.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.7 t -63.44 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.7 mttt -73.46 -27.93 61.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 26' ' ' VAL . 62.8 mt -78.1 -32.52 17.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.29 0.566 . . . . 0.0 109.687 173.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.7 -29.78 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.675 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.93 -16.77 62.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.737 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.699 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -87.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -105.31 -15.08 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.98 66.75 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.538 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.35 124.63 91.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.625 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 22.5 Cg_endo -61.38 143.75 97.93 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.357 2.038 . . . . 0.0 111.841 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.2 Cg_exo -61.18 -27.0 83.21 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.015 2.477 . . . . 0.0 113.213 -177.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.482 ' CG ' HH21 ' B' ' 74' ' ' ARG . 13.3 t70 -65.75 -45.86 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.688 0.28 . . . . 0.0 111.213 -175.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.668 HE21 HD12 ' B' ' 71' ' ' LEU . 14.4 pt20 -80.53 1.86 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -176.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -99.41 123.56 43.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.727 0.298 . . . . 0.0 111.1 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -128.65 121.17 27.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -96.58 136.77 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.701 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.405 ' N ' HD12 ' B' ' 44' ' ' ILE . 4.2 mp -122.76 121.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 22.4 t80 -111.07 98.73 7.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.44 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.4 22.32 10.76 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.159 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 -10.6 27.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.597 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -84.02 139.2 32.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.514 0.197 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -79.19 117.5 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.636 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.662 HD21 HD11 ' B' ' 61' ' ' ILE . 10.0 mp -119.4 99.69 6.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.036 0.446 . . . . 0.0 110.996 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -119.7 166.78 12.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 7.1 p-10 -68.41 147.37 52.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.11 0.481 . . . . 0.0 111.135 -173.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.21 -42.14 1.92 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 54' ' ' ARG . 16.3 mmt180 -84.91 160.69 20.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.332 . . . . 0.0 110.108 177.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.785 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.1 p -101.05 172.03 7.26 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.637 HD22 HD12 ' B' ' 61' ' ' ILE . 81.2 mt -74.5 -19.18 60.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.216 0.531 . . . . 0.0 109.736 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -80.82 -27.35 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -54.96 -60.94 2.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -83.91 -12.63 55.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.146 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 63.27 90.92 0.08 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.662 HD11 HD21 ' B' ' 50' ' ' LEU . 58.3 mt -101.33 144.31 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.84 -170.38 2.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.749 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 10.4 mtmp? -92.69 143.67 26.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.576 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.99 26.01 12.69 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.813 0.696 . . . . 0.0 111.152 173.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 18.7 m -80.19 155.61 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.3 m -100.34 126.42 46.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 111.316 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.569 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.7 mp -117.37 143.58 45.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -103.95 127.84 51.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.605 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.586 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 63.1 tp -94.18 108.37 20.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.629 HG21 ' HB3' ' A' ' 57' ' ' PRO . 65.7 t -105.52 122.08 58.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.668 HD12 HE21 ' B' ' 40' ' ' GLN . 3.3 mm? -82.94 156.64 23.38 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.198 0.523 . . . . 0.0 111.291 -174.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 67.7 mtp180 -109.96 149.15 30.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.85 176.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt -93.54 18.3 10.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.482 HH21 ' CG ' ' B' ' 39' ' ' ASP . 13.2 ttp180 -89.06 90.6 8.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.06 0.457 . . . . 0.0 110.053 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.49 65.97 1.48 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.679 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.347 0 CA-C-O 118.534 -1.148 . . . . 0.0 111.759 -178.837 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptp . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.31 94.76 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.786 0.679 . . . . 0.0 111.61 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -96.04 4.02 52.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.175 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.492 ' HE3' ' HB2' ' A' ' 4' ' ' LYS . 38.8 mtmt -88.33 61.15 6.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.079 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 m -64.81 -47.78 76.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.117 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -139.83 150.62 44.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -175.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -54.77 132.31 45.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -93.45 168.55 10.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.294 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.16 151.94 24.15 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.963 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' HB ' ' HD3' ' A' ' 68' ' ' LYS . 62.3 mt -119.39 120.93 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -78.19 136.07 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 111.887 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.791 HE21 ' HG3' ' A' ' 62' ' ' GLU . 79.9 mm-40 -74.49 -66.32 0.75 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.487 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.508 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.5 m-85 -96.84 -170.02 1.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.872 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -94.69 161.82 14.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.508 ' HB3' HG12 ' A' ' 25' ' ' ILE . 43.8 t80 -147.51 107.2 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.522 ' HA ' HG23 ' A' ' 24' ' ' THR . 66.2 mtt -93.73 105.2 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.859 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.639 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -76.63 156.17 32.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.88 -174.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.8 -33.36 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -94.5 153.92 17.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.896 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -71.41 -16.49 62.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.428 -175.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -84.64 -14.56 48.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.639 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 48.0 mt-10 -90.86 161.66 15.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.763 0.316 . . . . 0.0 110.309 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.502 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 57.4 tp -117.88 116.91 27.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.865 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.522 HG23 ' HA ' ' A' ' 16' ' ' MET . 22.3 m -75.19 117.74 17.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.698 HG22 HD21 ' A' ' 47' ' ' LEU . 31.5 pt -133.47 161.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.425 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -113.95 158.97 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.132 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -66.95 117.85 9.6 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.866 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.88 -0.17 30.28 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 140.98 38.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.815 0.34 . . . . 0.0 110.36 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -85.54 132.95 34.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.982 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 45' ' ' CYS . 10.4 m -133.21 149.95 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD2' HG22 ' A' ' 48' ' ' VAL . 37.7 m-85 -97.15 135.93 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 168.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.497 ' CG2' ' HB3' ' A' ' 36' ' ' ASP . 30.1 mt -94.9 107.99 20.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -76.38 -78.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.658 ' H ' ' HB2' ' A' ' 44' ' ' MET . 17.4 t70 -93.9 106.74 18.69 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 7.2 p-10 -123.87 4.89 8.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.549 175.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.51 -62.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.997 -172.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -78.33 -49.11 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -80.36 131.41 35.62 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -115.44 -25.45 7.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.237 0.541 . . . . 0.0 110.169 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.708 ' HA ' HD21 ' B' ' 8' ' ' LEU . 3.2 m-20 -79.11 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.079 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -125.35 151.62 45.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.382 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.2 m0 -123.18 149.33 44.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.774 0.321 . . . . 0.0 110.293 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.658 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 73.1 mtp -87.89 129.29 35.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 87.2 m -138.47 159.3 42.43 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.72 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -132.84 125.2 29.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.834 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.698 HD21 HG22 ' A' ' 25' ' ' ILE . 97.5 mt -61.18 126.61 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.528 0.518 . . . . 0.0 110.509 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.483 HG22 ' CD2' ' A' ' 32' ' ' TYR . 90.1 t -67.43 -34.49 68.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 110.79 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.675 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 p -86.46 -31.14 21.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -172.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 15.52 52.94 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.433 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HB2' HD12 ' A' ' 47' ' ' LEU . 29.6 mtpp -83.5 133.01 34.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 t -117.26 157.98 25.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.758 0.313 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.502 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 171.88 -173.31 45.06 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.183 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.88 137.14 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.77 148.91 67.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.363 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.514 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 23.6 Cg_exo -64.46 131.39 29.71 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.458 2.105 . . . . 0.0 111.851 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.84 -14.98 63.3 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.497 ' CD ' ' HA ' ' B' ' 8' ' ' LEU . 38.2 mt-30 -78.73 -9.23 59.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 111.045 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.514 ' CD1' ' HB2' ' A' ' 57' ' ' PRO . 29.9 m-85 -105.3 -13.76 15.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.607 -174.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mm -106.11 129.37 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.791 ' HG3' HE21 ' A' ' 12' ' ' GLN . 6.3 mm-40 -109.21 104.94 56.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.062 172.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' GLU . 12.1 Cg_endo -57.52 135.84 72.24 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.618 2.212 . . . . 0.0 111.628 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 10' ' ' ILE . 4.8 t -82.47 49.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.588 0.709 . . . . 0.0 111.671 -171.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -103.27 -37.55 7.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 163.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -83.03 -176.42 6.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.807 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -111.85 30.34 7.09 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.874 -177.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HD3' ' HB ' ' A' ' 10' ' ' ILE . 11.4 mtmt 63.21 94.33 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.532 -175.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -163.45 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.133 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m 48.86 76.2 0.13 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.75 0.786 . . . . 0.0 111.629 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--O 1.243 0.751 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.05 -177.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.747 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 121.63 0.728 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -103.91 130.07 51.48 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.243 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.553 HD12 HD12 ' B' ' 67' ' ' LEU . 31.2 pt -117.34 148.58 20.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.918 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.01 100.36 11.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.916 0.388 . . . . 0.0 110.445 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.7 t -83.38 97.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.436 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -92.51 101.98 14.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.589 HG22 HD23 ' B' ' 69' ' ' LEU . 61.5 p -70.98 165.17 23.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.129 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 41' ' ' ASP . 5.7 tt -62.82 -31.73 72.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.868 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.1 p -70.3 -27.59 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.761 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.65 -2.57 11.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.672 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -76.68 122.55 24.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -103.66 93.3 4.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -93.92 125.24 46.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.593 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -89.43 112.04 23.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.901 0.381 . . . . 0.0 109.976 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.3 128.64 54.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.421 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.17 106.42 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.622 173.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.17 -175.15 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.464 -175.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.406 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 34.5 tt0 -123.06 156.22 35.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -65.88 -35.12 79.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.486 . . . . 0.0 110.624 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -89.15 8.09 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.737 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 9.1 t70 -80.24 136.96 36.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 62.8 p -81.3 151.3 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 0.0 111.741 -173.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' B' ' 50' ' ' LEU . 42.6 mm -55.5 -34.45 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.41 -39.69 85.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.479 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 31.6 t-20 -70.49 -34.89 72.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.856 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 22' ' ' THR . 24.6 t -67.67 -38.67 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -57.66 -45.67 85.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.095 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.2 p -68.56 -33.99 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 63.2 mttp -59.49 -45.27 92.17 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.62 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.0 mt -67.95 -39.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.618 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.81 -30.81 70.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.744 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.3 -24.12 64.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.51 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -87.12 -69.79 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -104.06 6.14 35.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.65 26.74 73.57 Favored Glycine 0 CA--C 1.516 0.112 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.96 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -76.7 118.25 70.38 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.854 -0.203 . . . . 0.0 110.828 -177.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -54.6 134.0 59.79 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.016 2.478 . . . . 0.0 112.446 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -58.94 -36.17 97.32 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.414 2.742 . . . . 0.0 113.264 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.85 -33.39 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.217 0.532 . . . . 0.0 110.978 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.436 ' NE2' ' HD2' ' B' ' 37' ' ' PRO . 7.3 tt0 -74.46 -26.85 60.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -77.94 120.06 22.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.96 -175.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -125.36 114.31 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.12 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.44 ' HB3' HD22 ' B' ' 50' ' ' LEU . 98.8 mt -88.43 127.82 35.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.57 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.54 HD12 HG21 ' B' ' 70' ' ' VAL . 73.2 mt -117.5 119.02 60.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.41 177.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.435 ' HD2' ' HD2' ' B' ' 48' ' ' LYS . 61.3 t80 -107.65 97.48 7.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.157 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.37 19.49 7.75 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.976 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.59 -18.69 11.74 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.166 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.435 ' HD2' ' HD2' ' B' ' 45' ' ' PHE . 62.1 mttm -75.7 133.79 40.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.654 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -88.32 116.42 26.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.217 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' B' ' 23' ' ' ILE . 10.9 mp -87.65 110.79 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.355 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -85.85 141.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.368 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.552 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -80.2 117.21 20.79 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.526 0.679 . . . . 0.0 110.162 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -34.67 1.9 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -87.42 177.15 7.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.1 p -104.56 178.68 4.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.768 0.318 . . . . 0.0 110.778 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.712 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 85.7 mt -71.12 -28.55 64.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.387 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -66.53 -27.22 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.69 -23.31 67.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.451 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -121.71 19.01 11.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.684 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 m120 62.08 30.71 17.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.756 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.712 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 70.9 mt -78.28 102.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.298 0.571 . . . . 0.0 110.578 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.44 -172.06 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.407 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 12.3 ptmm? -71.62 144.92 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 67.21 17.57 10.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.715 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -78.17 139.76 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 m -93.89 102.62 14.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.08 0.467 . . . . 0.0 111.334 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.553 HD12 HD12 ' B' ' 3' ' ' ILE . 85.4 mt -92.05 117.94 30.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.469 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -81.82 115.51 21.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.589 HD23 HG22 ' B' ' 7' ' ' THR . 58.6 tp -88.76 94.94 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.631 HG13 HD12 ' B' ' 8' ' ' LEU . 31.4 t -95.51 120.61 45.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.349 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.62 132.84 34.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 24.0 mmm180 -75.79 150.16 37.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.02 19.42 0.54 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 67.63 -66.54 0.21 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.613 0.765 . . . . 0.0 111.333 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.85 154.05 20.01 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.58 -1.122 . . . . 0.0 111.479 -179.345 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.485 0.184 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.7 139.67 9.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -87.58 92.44 9.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.637 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -83.8 -31.69 25.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.745 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 m -70.63 121.05 17.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.813 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 2.9 mptp? -81.35 148.72 29.22 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 39.1 mttp -78.19 165.74 23.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 64' ' ' VAL . 22.1 mtm180 -126.93 159.59 33.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.731 -0.388 . . . . 0.0 109.96 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.79 165.85 35.9 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.37 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mt -120.83 124.27 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 3.2 p -72.23 126.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.388 0.613 . . . . 0.0 111.585 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -80.85 -60.35 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.476 -175.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 92.0 m-85 -84.23 -179.91 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -112.65 108.69 17.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.658 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 83.7 t80 -109.28 119.31 39.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 112.037 -171.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.449 ' HA ' HG23 ' A' ' 24' ' ' THR . 86.7 mmm -93.01 129.67 38.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.72 173.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -103.61 154.24 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.779 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.46 -42.12 2.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 110.279 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -87.77 159.36 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.213 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.486 ' H ' ' CD ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER -73.92 -19.62 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -178.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.1 -38.36 88.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.23 0.538 . . . . 0.0 109.957 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt-10 -83.22 161.35 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.816 -173.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' HG ' ' A' ' 47' ' ' LEU . 62.7 tp -123.73 122.33 37.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.845 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.449 HG23 ' HA ' ' A' ' 16' ' ' MET . 25.3 m -71.94 110.5 6.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.247 177.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.551 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 14.3 pt -120.09 123.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.507 . . . . 0.0 111.268 -174.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -84.33 144.6 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.376 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 t -55.76 128.48 35.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.491 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 12.08 68.25 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.62 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 26' ' ' LYS . 3.9 t70 -84.92 -178.51 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.525 0.663 . . . . 0.0 110.721 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -113.68 118.39 34.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.735 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 61' ' ' ILE . 24.5 m -127.15 141.29 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.401 0.62 . . . . 0.0 112.434 -176.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -82.72 143.96 30.55 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.261 170.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.67 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 59.4 mt -105.13 109.02 26.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.185 0.517 . . . . 0.0 109.857 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 2.8 mm? -82.59 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.741 -177.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.545 ' H ' ' HB2' ' A' ' 44' ' ' MET . 9.6 t0 -134.79 110.03 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.561 177.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -97.3 22.46 8.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 0.0 111.843 -175.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.2 21.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.821 0.819 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.884 ' HZ2' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -65.63 -49.5 68.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.344 -173.385 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -127.73 17.1 6.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.111 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp 67.23 -64.96 0.24 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.776 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.31 -29.93 48.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.334 0.588 . . . . 0.0 110.409 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -121.75 135.72 54.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.382 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.472 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 46.0 m0 -115.05 167.17 11.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.883 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.545 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 63.2 mmm -98.3 118.92 36.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.0 m -135.55 157.43 46.9 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.893 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.547 HE21 ' HA2' ' A' ' 51' ' ' GLY . 48.0 tt0 -132.47 128.78 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.949 -176.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 31' ' ' VAL . 96.3 mt -65.46 118.65 9.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.04 -39.51 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 123.387 0.429 . . . . 0.0 111.892 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -69.81 -54.99 11.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 t -90.21 -27.81 19.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.767 -171.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.547 ' HA2' HE21 ' A' ' 46' ' ' GLN . . . 94.83 0.58 64.0 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.221 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.05 120.72 14.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 4.5 p -119.93 148.93 42.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.861 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.38 -170.78 40.94 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.343 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.1 mm? -85.9 131.95 34.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.487 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 36.0 m -131.03 153.29 81.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.121 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.538 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 17.2 Cg_exo -67.16 140.27 53.24 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.487 2.125 . . . . 0.0 111.991 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -45.68 81.09 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.531 ' OE1' ' HG ' ' B' ' 8' ' ' LEU . 1.6 mp0 -74.15 14.02 0.48 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.658 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 5.6 m-85 -105.72 -25.77 12.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.655 HD12 HG21 ' A' ' 31' ' ' VAL . 36.8 mm -103.0 107.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.96 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.37 134.85 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.412 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 1.009 ' HG3' ' HD2' ' A' ' 68' ' ' LYS . 3.8 Cg_exo -77.36 127.74 9.23 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.58 2.187 . . . . 0.0 110.9 171.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 8' ' ' ARG . 6.8 m -85.27 -16.82 10.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 39.6 ttp180 -141.4 -89.93 0.15 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.861 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 8.2 p-10 -146.38 -158.84 0.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.67 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.908 ' HE3' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 77.97 -51.49 0.51 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.994 0.917 . . . . 0.0 111.667 176.531 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 1.009 ' HD2' ' HG3' ' A' ' 63' ' ' PRO . 39.7 ttmt -69.22 -43.53 73.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.088 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 93.6 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.202 0.525 . . . . 0.0 111.333 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.4 m -130.2 92.87 3.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.34 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.752 -176.531 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.474 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.8 ptt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.059 0.457 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.69 127.97 33.91 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.543 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -118.94 135.54 59.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.09 110.43 21.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.39 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' B' ' 13' ' ' ILE . 44.5 t -82.42 98.34 4.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.282 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 74.2 tttt -100.68 101.3 12.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.21 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.555 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 71.1 p -78.27 173.61 12.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.959 -170.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.531 ' HG ' ' OE1' ' A' ' 59' ' ' GLN . 2.0 tt -76.31 -14.76 60.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.943 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -89.86 -5.15 57.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.745 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.85 10.95 51.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.217 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 42.7 mmtm -84.01 142.71 30.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -133.79 93.37 3.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.861 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.462 HG13 ' HB ' ' B' ' 5' ' ' VAL . 9.7 pt -108.81 150.91 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.173 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.9 m -95.67 126.09 40.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' B' ' 29' ' ' LYS . 17.7 tp -118.54 126.06 51.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.812 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -86.14 106.74 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.156 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.417 HG12 ' CD ' ' B' ' 29' ' ' LYS . 33.5 m -125.6 144.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.497 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.485 ' O ' HD12 ' B' ' 56' ' ' LEU . 31.0 tt0 -87.24 153.18 21.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.89 -17.56 64.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.007 0.432 . . . . 0.0 110.72 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.54 -4.57 50.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.9 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.39 142.98 57.41 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.002 0.429 . . . . 0.0 110.797 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 59.8 p -88.38 158.27 18.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.992 175.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.714 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.7 mm -62.02 -32.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.0 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.505 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 4.6 p-10 -69.95 -30.77 68.23 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.645 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 41.1 t-20 -71.53 -43.21 66.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.55 HG21 HD21 ' B' ' 56' ' ' LEU . 47.5 t -60.77 -41.68 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.401 177.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 91.9 mttt -56.39 -44.71 80.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.139 0.495 . . . . 0.0 110.376 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.2 m -68.96 -29.08 67.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 53.8 mttm -65.6 -38.63 90.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.913 0.387 . . . . 0.0 110.097 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.46 -31.68 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.965 177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.41 0.624 . . . . 0.0 109.562 173.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.26 -34.52 74.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.035 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.72 -70.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.957 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -97.81 -10.65 24.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -171.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.83 39.39 24.7 Favored Glycine 0 C--O 1.23 -0.144 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.657 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 32.0 mt -101.92 129.5 26.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 43.4 Cg_exo -57.34 131.05 42.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.98 2.453 . . . . 0.0 112.599 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.487 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 48.6 Cg_exo -56.75 -44.14 47.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.064 2.509 . . . . 0.0 112.949 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 12.7 m-20 -72.98 -9.06 58.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.909 -176.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 19.1 tt0 -97.48 -9.35 27.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 110.279 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -100.95 127.56 47.38 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.941 -0.474 . . . . 0.0 111.863 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -117.66 112.72 20.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 96.5 mt -88.9 125.56 35.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.558 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 3.2 mp -112.07 124.33 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.445 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -122.68 112.98 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.011 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.62 16.65 6.75 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.072 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 -12.18 46.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.304 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -94.57 138.36 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -86.17 136.54 33.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.237 -177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.651 HD23 HD12 ' B' ' 23' ' ' ILE . 9.3 mp -95.17 102.63 14.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.25 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -80.5 136.49 36.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.714 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.8 p-10 -72.18 135.77 46.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.374 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.79 -44.25 1.2 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -90.32 175.43 7.11 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 72.7 p -96.11 171.51 8.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 111.184 -176.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.55 HD21 HG21 ' B' ' 26' ' ' VAL . 95.7 mt -64.8 -28.84 69.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.187 174.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -66.18 -39.64 89.88 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.573 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -59.58 -39.19 83.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -88.73 4.04 48.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.05 43.09 11.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.828 0.705 . . . . 0.0 111.229 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.557 HD11 HD21 ' B' ' 50' ' ' LEU . 67.9 mt -81.62 132.62 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.593 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -98.91 174.15 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.474 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 63.6 mmtt -69.98 147.29 50.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.547 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 64.17 27.42 14.0 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 110.633 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.5 p -78.47 163.48 25.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.471 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.0 m -123.85 118.14 26.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.748 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.42 143.78 35.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.1 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 91.7 m-70 -100.65 130.32 46.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.831 0.348 . . . . 0.0 110.249 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.555 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 61.1 tp -98.31 108.19 20.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.432 HG22 HD12 ' B' ' 8' ' ' LEU . 67.4 t -108.64 129.48 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.93 149.62 25.51 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.7 0.762 . . . . 0.0 112.319 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.68 ' HG2' ' H ' ' B' ' 74' ' ' ARG . 57.8 ttt180 -84.09 144.87 28.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.45 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.72 5.72 4.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.881 0.372 . . . . 0.0 111.731 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.68 ' H ' ' HG2' ' B' ' 72' ' ' ARG . 48.6 mtp180 -144.48 157.02 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.868 174.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.58 -5.92 4.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.746 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.054 -1.415 . . . . 0.0 111.026 -178.379 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.511 0.196 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 5' ' ' SER . . . 65.06 22.68 12.4 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.016 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -111.77 105.76 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 71.02 9.76 6.8 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.222 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 2' ' ' ALA . 80.7 p -95.91 159.67 14.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.81 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -120.8 166.15 14.15 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.775 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 2.6 mmtp -81.6 159.89 23.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -129.05 123.86 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.265 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.56 167.11 29.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.008 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -118.7 129.82 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.445 HG23 ' HB3' ' A' ' 60' ' ' PHE . 4.9 p -75.49 121.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.321 0.581 . . . . 0.0 110.05 175.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.27 -31.59 49.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' O ' HG22 ' A' ' 11' ' ' VAL . 4.4 m-85 -111.8 -177.46 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.797 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.532 ' O ' ' HA2' ' B' ' 47' ' ' GLY . 8.1 m-20 -96.47 160.9 14.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 171.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' HB3' HG12 ' A' ' 25' ' ' ILE . 65.7 t80 -149.24 102.56 3.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.153 0.501 . . . . 0.0 110.668 174.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mtt -83.4 110.98 18.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.765 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.642 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -89.17 150.69 22.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.953 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -130.69 -21.19 2.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.169 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.733 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 22.9 m -89.81 152.29 21.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -73.14 -23.02 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -80.68 -14.4 58.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.801 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.733 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 59.2 mt-10 -86.61 177.2 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.654 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 46.7 tp -136.17 114.59 11.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -70.8 103.3 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.686 HG22 HD21 ' A' ' 47' ' ' LEU . 22.3 pt -117.88 156.58 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -119.48 154.7 33.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.31 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 p -59.71 116.64 4.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.043 0.449 . . . . 0.0 110.871 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.06 -0.35 29.98 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.94 133.1 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -86.4 125.82 33.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.593 HG12 HD23 ' A' ' 47' ' ' LEU . 18.5 m -133.32 151.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.37 0.605 . . . . 0.0 112.184 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CE2' HG22 ' A' ' 48' ' ' VAL . 48.5 m-85 -101.13 135.72 42.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.089 171.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.775 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 mt -94.63 115.28 33.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.591 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 58.3 mt -74.83 -48.18 26.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.558 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -142.44 122.58 13.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.986 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.557 ' HB3' HG21 ' A' ' 33' ' ' ILE . 6.6 p-10 -126.55 12.53 7.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.818 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -109.66 -55.08 2.48 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.775 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -74.17 -48.47 29.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -95.13 102.48 14.29 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.879 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -98.71 -25.46 14.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.66 ' HB2' HD11 ' B' ' 73' ' ' LEU . 4.9 m-20 -84.9 -41.27 16.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.965 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -124.65 122.35 37.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.206 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -95.49 142.48 27.79 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.879 0.371 . . . . 0.0 110.624 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.482 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -86.07 102.78 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.5 m -109.37 144.36 37.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 63.9 tt0 -120.39 126.55 50.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.803 178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.686 HD21 HG22 ' A' ' 25' ' ' ILE . 95.0 mt -68.34 136.33 53.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.118 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.527 HG22 ' CE2' ' A' ' 32' ' ' TYR . 72.9 t -76.14 -23.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.456 0.646 . . . . 0.0 109.455 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.85 -71.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.632 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 p -97.83 -26.35 14.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.876 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.33 6.04 58.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.165 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -78.63 143.76 36.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.697 0.284 . . . . 0.0 110.337 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 21.6 p -120.01 156.02 31.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.912 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.654 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -172.35 176.86 45.23 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.721 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.55 131.84 36.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.681 0.277 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.541 HG11 HD13 ' A' ' 25' ' ' ILE . 33.9 m -136.91 156.24 75.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.333 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HB3' HG21 ' B' ' 70' ' ' VAL . 11.5 Cg_endo -56.42 133.21 56.6 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.957 2.438 . . . . 0.0 112.797 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.96 61.56 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -173.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 7.1 pt20 -72.74 12.01 0.57 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -171.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.445 ' HB3' HG23 ' A' ' 11' ' ' VAL . 3.0 m-85 -96.15 -14.8 22.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.572 0.225 . . . . 0.0 110.698 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.99 126.01 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.122 0.487 . . . . 0.0 111.843 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -112.57 108.98 53.76 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.521 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.1 136.66 70.48 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.922 2.415 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.4 m -87.77 -29.09 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.123 0.487 . . . . 0.0 111.286 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.794 HH21 ' HB2' ' A' ' 67' ' ' LYS . 7.1 tpm_? -169.48 76.46 0.1 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.282 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.33 -58.84 2.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.259 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.794 ' HB2' HH21 ' A' ' 65' ' ' ARG . 52.5 tttm 52.15 76.83 0.17 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.93 -172.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -73.9 149.38 41.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.197 -174.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -90.76 -58.7 2.39 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 p -148.42 159.52 43.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.42 173.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.371 179.535 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.603 ' SD ' ' HD2' ' B' ' 63' ' ' LYS . 16.3 ptt? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.763 0.792 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 29.0 mt-30 -105.13 130.26 53.35 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.008 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 pt -127.13 151.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.547 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -101.56 105.52 16.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.314 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -87.88 98.14 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.16 0.505 . . . . 0.0 110.148 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 24.6 ttmm -87.98 112.57 22.72 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.86 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.582 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 49.7 p -71.21 172.83 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.021 0.438 . . . . 0.0 111.549 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.504 HD12 HG13 ' B' ' 70' ' ' VAL . 9.3 tt -63.2 -36.14 82.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.943 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -78.23 -30.47 48.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.505 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.41 -37.25 1.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.692 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -48.1 115.24 1.12 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.022 0.439 . . . . 0.0 111.423 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 14.4 m -103.6 113.16 26.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.406 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.05 130.87 49.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.695 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -85.85 113.77 22.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.64 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' B' ' 2' ' ' GLN . 3.2 mm? -105.93 136.25 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 111.613 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.92 101.4 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.306 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.42 HG11 HG22 ' B' ' 26' ' ' VAL . 27.2 m -139.03 143.94 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.984 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -82.18 167.6 18.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 111.228 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -64.63 -30.23 71.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.278 0.561 . . . . 0.0 110.605 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -90.34 9.88 27.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.199 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.01 141.22 36.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.469 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.6 p -86.98 151.8 22.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.974 -176.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.1 mm -56.48 -35.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.749 ' HA ' ' HG2' ' B' ' 27' ' ' LYS . 20.5 t70 -69.73 -35.98 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.543 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 3.8 t-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.709 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.491 HG21 HD11 ' B' ' 56' ' ' LEU . 58.6 t -63.11 -51.97 64.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.159 173.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.749 ' HG2' ' HA ' ' B' ' 24' ' ' ASP . 19.7 ptpt -63.33 -29.13 70.49 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.536 ' HA ' ' CD ' ' B' ' 31' ' ' GLN . 28.9 t -66.9 -38.37 86.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.462 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.6 mttp -64.02 -32.89 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 27' ' ' LYS . 59.0 mt -69.02 -39.47 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.403 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.648 ' CD ' ' HG3' ' B' ' 38' ' ' PRO . 28.4 mt-30 -65.65 -27.73 68.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.181 0.515 . . . . 0.0 110.09 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.57 -33.57 76.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.011 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.64 -64.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.294 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -172.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 49.51 4.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.562 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 58.4 mt -106.8 131.49 21.66 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 24.8 Cg_exo -37.37 121.44 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.751 2.967 . . . . 0.0 113.202 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.648 ' HG3' ' CD ' ' B' ' 31' ' ' GLN . 52.9 Cg_exo -56.01 -46.4 31.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.999 2.466 . . . . 0.0 113.298 -176.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.7 -25.51 67.46 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -82.68 -28.99 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.973 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.562 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 27.2 mt-30 -79.59 109.62 14.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 111.399 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.735 ' HG3' ' HD3' ' B' ' 72' ' ' ARG . 3.4 mmp_? -112.98 122.11 46.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' B' ' 50' ' ' LEU . 96.6 mt -91.88 127.93 37.53 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.29 125.46 61.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.469 ' HB3' HD21 ' B' ' 50' ' ' LEU . 73.0 t80 -121.35 109.68 15.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.327 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.42 19.79 9.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.038 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 14' ' ' ASP . . . 110.58 -17.34 28.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.636 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -87.54 123.06 32.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.62 115.69 20.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.326 0.584 . . . . 0.0 109.561 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.551 HD22 ' CG ' ' B' ' 59' ' ' TYR . 13.8 mt -81.72 129.0 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.556 -174.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HA ' ' NH2' ' B' ' 42' ' ' ARG . 30.6 mt-10 -100.16 -179.75 4.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.203 0.525 . . . . 0.0 110.978 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.59 151.39 24.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.895 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.04 -45.07 1.37 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.619 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -82.89 169.06 16.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 0.0 111.22 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.2 p -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.491 HD11 HG21 ' B' ' 26' ' ' VAL . 10.5 mp -65.73 -32.5 74.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.543 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.7 m -65.95 -38.35 88.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.576 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.28 -35.98 82.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.781 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.551 ' CG ' HD22 ' B' ' 50' ' ' LEU . 63.3 m-85 -94.8 -0.84 53.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.426 HD22 ' HA ' ' B' ' 60' ' ' ASN . 9.4 m120 61.44 41.01 13.29 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.9 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.443 HD12 ' HG ' ' B' ' 56' ' ' LEU . 79.7 mt -71.56 117.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.901 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.76 172.07 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.046 -172.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.603 ' HD2' ' SD ' ' B' ' 1' ' ' MET . 12.7 mmmm -59.86 134.51 57.1 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.679 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 60.95 26.53 16.45 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.654 0.597 . . . . 0.0 111.409 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -71.73 158.21 36.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.146 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.5 m -112.76 104.69 12.72 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.168 0.509 . . . . 0.0 110.414 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.18 145.08 27.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.395 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -107.01 114.81 29.11 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.582 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 65.8 tp -92.31 113.88 26.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.12 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.504 HG13 HD12 ' B' ' 8' ' ' LEU . 47.9 t -116.21 129.87 71.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.68 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.05 145.19 27.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.735 ' HD3' ' HG3' ' B' ' 42' ' ' ARG . 26.4 mmm180 -80.06 -9.1 59.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.312 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.66 HD11 ' HB2' ' A' ' 41' ' ' ASP . 84.1 mt 66.6 3.66 3.01 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.161 0.584 . . . . 0.0 112.504 178.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 54.24 63.92 2.0 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.055 0.455 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.9 153.92 12.8 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.914 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.142 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.111 177.772 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.436 0.16 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.75 177.4 0.17 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.432 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p 47.79 35.22 4.47 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.016 0.526 . . . . 0.0 112.094 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -73.37 -63.85 1.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.331 0.586 . . . . 0.0 110.03 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -144.03 162.59 35.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.419 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.95 116.6 29.18 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 172.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.709 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 97.5 mttt -74.4 157.77 35.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -125.58 144.99 50.32 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.25 175.55 33.91 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.346 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -126.55 130.23 71.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' A' ' 25' ' ' ILE . 2.4 p -79.85 124.87 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.01 0.434 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -98.98 -25.95 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.166 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' HB2' ' CG ' ' A' ' 60' ' ' PHE . 97.6 m-85 -115.77 144.87 43.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 0.0 110.51 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -79.0 142.66 36.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.53 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 88.4 t80 -148.11 135.0 20.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.747 0.308 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.627 ' HA ' HG23 ' A' ' 24' ' ' THR . 21.8 ptp -107.81 127.97 54.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.918 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -89.99 144.0 26.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.279 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -102.03 -20.32 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -115.63 165.69 12.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.65 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -75.18 -24.67 57.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -81.94 -12.05 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 110.537 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 53.8 mt-10 -96.67 151.99 19.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.405 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.648 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 55.8 tp -117.52 128.02 54.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 111.473 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 16' ' ' MET . 86.4 m -77.57 115.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.944 173.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.53 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 10.8 pt -110.2 157.3 10.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.309 0.576 . . . . 0.0 111.62 -175.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -130.87 131.07 44.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.385 -175.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -57.16 124.85 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.853 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.78 -9.07 43.72 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.97 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.42 155.08 24.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -92.49 130.18 38.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.347 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 HD23 ' A' ' 47' ' ' LEU . 35.3 m -127.48 150.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.308 0.575 . . . . 0.0 112.003 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -95.63 140.29 30.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.234 168.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 46.4 mt -105.46 113.33 42.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.4 mm? -94.07 -77.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.572 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 4.5 m-20 -102.04 95.0 6.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.279 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 9.2 p-10 -105.81 -36.32 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.809 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.14 2.81 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.104 0.478 . . . . 0.0 110.825 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 28.5 mmtp -78.03 -48.64 15.68 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.6 m -125.44 171.3 10.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -111.69 15.35 21.04 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.826 ' HA ' HD22 ' B' ' 8' ' ' LEU . 1.1 p-10 -140.7 -71.46 0.37 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.549 -165.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -108.66 124.63 50.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -105.07 150.4 25.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.201 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.572 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 34.0 mtp -87.34 119.7 27.88 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.9 p -132.43 162.35 31.37 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.777 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 7.6 tt0 -133.03 127.04 33.23 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.853 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.646 HD23 HG12 ' A' ' 31' ' ' VAL . 73.5 mt -63.05 118.36 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.88 -43.03 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.72 -11.81 58.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -171.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 p -119.82 -38.22 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.875 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 6.35 56.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.083 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HE3' HD12 ' A' ' 47' ' ' LEU . 58.7 mtmt -84.55 124.73 31.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.799 0.333 . . . . 0.0 110.644 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 5.6 p -114.89 157.57 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.566 -175.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.648 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 174.06 -178.85 45.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.079 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.6 mt -89.07 134.87 33.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.696 0.284 . . . . 0.0 110.999 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.61 158.21 73.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HB3' HG21 ' B' ' 70' ' ' VAL . 25.6 Cg_exo -63.76 127.21 19.08 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.746 2.297 . . . . 0.0 112.15 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.78 -33.25 64.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.427 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.47 0.38 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.085 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.673 ' HZ ' HG21 ' B' ' 44' ' ' ILE . 7.3 m-30 -107.61 -7.72 16.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.631 0.253 . . . . 0.0 111.421 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 31' ' ' VAL . 50.9 mm -110.23 126.85 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 0.0 111.574 -174.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' OE1' ' HE3' ' A' ' 68' ' ' LYS . 18.3 mm-40 -104.66 105.89 52.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.762 172.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' O ' ' HD3' ' A' ' 68' ' ' LYS . 54.5 Cg_endo -71.67 130.13 16.59 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 111.921 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m -82.16 120.75 34.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.655 0.74 . . . . 0.0 110.916 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -99.88 -86.47 0.38 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.61 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -132.54 75.06 1.61 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 169.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 66.59 100.86 0.05 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.235 -170.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.492 ' HE3' ' OE1' ' A' ' 62' ' ' GLU . 63.7 tttp -123.84 122.47 38.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.455 176.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -126.99 86.34 2.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.296 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.3 p 46.6 -98.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.475 1.11 . . . . 0.0 113.908 173.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.647 -173.067 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.407 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 21.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.289 0.566 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.54 147.33 47.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.42 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.5 pt -132.36 136.77 55.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.468 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 53.9 m-85 -90.45 95.68 10.29 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.5 t -80.31 100.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.765 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.5 ttmt -97.3 106.03 18.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.802 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.699 HG22 HD23 ' B' ' 69' ' ' LEU . 43.7 p -79.26 160.66 26.75 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.234 -176.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 41' ' ' ASP . 1.1 pp -67.72 -10.42 52.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.833 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.19 -13.42 59.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.335 177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.0 14.85 38.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.065 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.99 115.61 30.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.686 0.279 . . . . 0.0 110.838 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 15.0 m -102.27 93.47 5.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -100.73 124.23 54.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.58 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -80.1 112.21 17.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.032 0.444 . . . . 0.0 110.141 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -98.2 133.61 42.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.33 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.4 107.46 15.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.75 176.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.85 -175.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.469 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 9.2 tp10 -123.49 156.38 35.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -61.44 -42.79 99.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.304 0.573 . . . . 0.0 109.711 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -88.16 20.8 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.786 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 17.9 t0 -91.05 134.83 34.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.469 ' O ' HG23 ' B' ' 26' ' ' VAL . 41.5 p -74.2 148.66 41.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.651 HG22 ' HE3' ' B' ' 27' ' ' LYS . 31.0 mm -55.18 -42.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.276 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -42.9 84.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.514 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -68.08 -38.58 82.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 22' ' ' THR . 49.1 t -60.53 -44.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.07 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.662 ' HD3' ' O ' ' B' ' 38' ' ' PRO . 95.1 mttt -59.37 -36.78 76.38 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -29.91 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.878 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.43 -24.73 60.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.98 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 26' ' ' VAL . 24.1 mm -71.93 -44.02 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.56 -33.96 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.248 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.89 -32.73 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.631 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -110.48 -63.53 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.854 -173.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -75.36 -22.78 57.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.261 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 45.1 26.95 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.128 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.794 HD13 HD21 ' B' ' 71' ' ' LEU . 66.4 mt -111.38 134.36 21.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 55.6 Cg_exo -52.93 121.28 9.03 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.664 2.243 . . . . 0.0 111.632 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.662 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 49.9 Cg_exo -56.4 -43.55 54.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.126 2.551 . . . . 0.0 113.248 -175.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -76.58 -2.15 31.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 0.0 111.475 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -95.26 -9.73 32.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.346 0.594 . . . . 0.0 109.748 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.551 ' HB3' HD11 ' B' ' 69' ' ' LEU . 47.2 mt-30 -99.19 144.04 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.236 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.418 ' HD3' ' OE1' ' B' ' 49' ' ' GLN . 98.8 mtt180 -131.89 124.56 29.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.251 173.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.34 126.58 41.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.025 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.673 HG21 ' HZ ' ' A' ' 60' ' ' PHE . 54.5 mt -117.27 126.2 74.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.954 0.407 . . . . 0.0 110.632 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -129.53 109.65 11.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.293 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.72 22.74 13.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.723 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.5 -15.74 49.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.033 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -82.54 111.86 18.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.679 0.276 . . . . 0.0 110.369 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.418 ' OE1' ' HD3' ' B' ' 42' ' ' ARG . 22.8 tt0 -80.92 113.38 19.09 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.582 HD13 HD12 ' B' ' 23' ' ' ILE . 49.1 mt -69.3 123.6 21.62 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.95 -85.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.501 -173.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -179.07 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.57 0.224 . . . . 0.0 110.71 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.41 39.39 3.1 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.342 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.471 ' O ' HG12 ' B' ' 23' ' ' ILE . 3.5 mmp_? -133.45 168.82 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -103.71 172.19 6.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.1 -22.9 62.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.05 0.452 . . . . 0.0 110.488 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.0 m -67.24 -31.53 71.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.96 176.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.64 -43.54 84.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.606 -176.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -85.31 -2.41 58.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.208 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 59.92 59.17 2.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.406 HD11 HD21 ' B' ' 50' ' ' LEU . 67.9 mt -92.93 127.78 44.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -68.09 145.82 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.421 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 22.4 pttp -76.15 160.25 29.92 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.373 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.421 ' HG2' ' HG3' ' B' ' 63' ' ' LYS . 4.4 mm-40 58.54 36.99 25.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.38 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -103.19 157.41 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.297 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 27.1 m -101.88 112.56 25.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.793 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.25 148.88 24.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -95.58 123.41 39.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.699 HD23 HG22 ' B' ' 7' ' ' THR . 42.4 tp -95.36 119.84 34.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.573 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 57' ' ' PRO . 78.6 t -118.34 116.47 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.039 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.794 HD21 HD13 ' B' ' 36' ' ' ILE . 10.7 mp -81.66 143.8 31.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.335 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -86.74 -25.53 24.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.358 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 mt 55.6 86.68 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.871 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -88.62 -50.15 6.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.958 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.68 49.55 0.32 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.566 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.822 -178.722 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtp . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.861 0.363 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.24 -15.33 50.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 173.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t 78.12 168.17 0.22 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.07 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -173.47 -75.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.307 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 5.4 m -67.0 -33.73 76.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.196 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 5' ' ' SER . 32.3 mtmm 71.27 148.56 0.08 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.339 -175.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.604 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 95.4 mttt -63.66 145.39 55.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.627 -176.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -117.91 147.57 43.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -146.65 157.8 27.52 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.699 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.573 HG13 HG22 ' A' ' 64' ' ' VAL . 87.0 mt -112.09 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 11' ' ' VAL . 1.4 p -69.07 127.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.035 0.445 . . . . 0.0 110.648 178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -85.51 -54.83 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.286 -176.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 95.2 m-85 -93.09 142.78 26.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.03 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.685 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 13.7 t70 -77.4 118.31 19.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 82.5 t80 -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 111.541 -173.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.442 ' HA ' HG23 ' A' ' 24' ' ' THR . 81.9 mtp -97.74 135.98 38.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.869 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -94.75 155.27 16.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.128 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -114.23 -42.84 3.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.655 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -104.13 167.82 9.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -72.45 -19.01 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.197 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.61 -30.56 67.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.543 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 30.4 mt-10 -88.8 178.4 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.63 -175.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD21 ' HG ' ' A' ' 47' ' ' LEU . 68.8 tp -137.83 130.66 29.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.815 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.442 HG23 ' HA ' ' A' ' 16' ' ' MET . 19.5 m -77.8 107.59 10.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.923 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.558 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 12.8 pt -111.24 122.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 110.869 -176.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -77.91 143.9 37.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.174 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.676 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 48.4 t -61.15 115.66 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.939 0.4 . . . . 0.0 110.592 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.19 6.47 61.53 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.742 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.65 -179.45 6.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.924 0.362 . . . . 0.0 110.65 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -113.65 120.93 42.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.667 HG21 HD12 ' A' ' 61' ' ' ILE . 29.7 m -125.58 144.5 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.245 0.545 . . . . 0.0 111.921 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.477 ' CE2' HG22 ' A' ' 48' ' ' VAL . 53.4 m-85 -92.96 130.58 38.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.362 170.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.604 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 55.5 mt -89.49 98.82 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -72.57 -64.34 0.98 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.174 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -119.39 123.27 43.72 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.864 0.364 . . . . 0.0 110.516 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.41 15.55 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.057 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -109.56 -42.78 4.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -170.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.95 -28.64 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 111.109 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -135.23 164.88 26.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.385 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.94 4.6 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.538 0.685 . . . . 0.0 109.775 173.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.23 -52.62 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.562 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -117.19 112.39 20.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.198 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.458 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 37.4 m0 -100.77 165.16 11.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.553 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.1 mtp -99.17 106.33 18.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.473 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 99.5 m -117.63 157.96 25.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.784 0.326 . . . . 0.0 110.775 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 35.2 tt0 -133.04 128.35 36.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.688 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 31' ' ' VAL . 92.3 mt -67.17 125.91 27.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.921 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.477 HG22 ' CE2' ' A' ' 32' ' ' TYR . 61.8 t -64.39 -54.25 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 -175.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -72.74 -33.35 66.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.7 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.9 t -83.58 -48.84 9.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.044 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.7 53.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.248 -177.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.49 130.65 42.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.549 0.214 . . . . 0.0 110.609 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.43 ' HB3' ' HB2' ' A' ' 46' ' ' GLN . 6.0 p -115.73 144.12 44.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.903 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.64 43.23 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 95.9 mt -84.94 133.97 34.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.88 155.75 72.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.64 126.76 22.85 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.953 2.435 . . . . 0.0 112.32 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.388 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.525 HE22 HG22 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -78.46 -10.17 59.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.369 -177.058 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 13' ' ' TYR . 2.8 m-30 -90.16 -12.81 37.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 31' ' ' VAL . 45.8 mm -108.09 122.04 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -111.26 107.2 57.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 46.3 Cg_exo -55.96 141.21 86.44 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.01 2.473 . . . . 0.0 112.85 -176.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 10' ' ' ILE . 9.1 t -77.78 87.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 64' ' ' VAL . 12.3 tpt180 160.25 -26.73 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 -167.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 79.19 -0.38 2.32 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.32 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -166.5 126.6 1.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.78 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE2' ' CZ2' ' A' ' 43' ' ' TRP . 20.2 pttp -97.75 101.86 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.935 0.874 . . . . 0.0 110.713 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -104.54 -22.63 13.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.078 177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.622 HG23 ' HG3' ' A' ' 71' ' ' GLU . 9.9 t -169.62 -21.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.117 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.622 ' HG3' HG23 ' A' ' 70' ' ' THR . 43.3 mt-10 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.785 -0.626 . . . . 0.0 109.45 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.528 ' SD ' ' HD3' ' B' ' 63' ' ' LYS . 25.3 ptt? . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.267 0.556 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -129.43 141.56 51.01 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.721 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -129.9 164.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -111.72 107.08 16.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.599 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -92.04 93.86 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.258 0.551 . . . . 0.0 109.832 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 24.5 ttmm -91.53 108.55 19.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.989 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.59 HG22 HD23 ' B' ' 69' ' ' LEU . 46.9 p -73.04 167.83 20.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.298 0.571 . . . . 0.0 111.765 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.97 -29.69 70.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.589 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -79.92 3.11 20.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.082 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.73 20.91 58.9 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.986 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -103.12 112.85 25.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -90.38 101.28 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.574 . . . . 0.0 110.659 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.599 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 63.1 mt -89.13 120.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.1 m -87.89 111.87 21.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.655 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -119.55 128.46 53.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.307 -173.623 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.61 112.75 24.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.353 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.655 HG13 HD12 ' B' ' 15' ' ' LEU . 12.9 m -140.45 151.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.911 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.611 ' O ' HD12 ' B' ' 56' ' ' LEU . 40.6 mt-10 -66.22 150.45 48.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -177.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 m -67.78 -17.08 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.141 0.496 . . . . 0.0 110.509 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -110.13 17.61 20.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.229 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -75.03 169.06 18.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.299 -177.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.541 ' O ' HG23 ' B' ' 26' ' ' VAL . 60.5 p -100.35 149.32 23.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.511 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.432 HD13 HD23 ' B' ' 56' ' ' LEU . 34.7 mm -59.88 -32.43 49.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.302 0.572 . . . . 0.0 110.107 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.679 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 25.4 t70 -62.32 -46.69 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.857 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -63.48 -41.18 98.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.445 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.564 HG22 HG11 ' B' ' 17' ' ' VAL . 15.9 t -60.95 -46.68 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.76 -42.66 89.4 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.11 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -65.67 -34.63 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.431 -177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.98 -43.52 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.714 0.292 . . . . 0.0 110.781 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.448 HD11 HG21 ' B' ' 5' ' ' VAL . 71.2 mt -66.1 -34.7 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 0.0 109.863 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.02 -47.13 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.966 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.47 -29.13 65.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.092 0.472 . . . . 0.0 111.179 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -80.7 -60.51 2.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.653 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.27 -7.69 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.837 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 32.57 66.2 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.971 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.491 HG22 ' HG3' ' B' ' 41' ' ' GLN . 61.2 mt -103.27 120.36 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.66 0.266 . . . . 0.0 110.34 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 39.2 Cg_exo -60.74 137.75 75.01 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.86 2.373 . . . . 0.0 112.5 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 39.2 Cg_exo -61.34 -23.6 77.18 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.018 2.479 . . . . 0.0 112.007 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.73 -29.39 69.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.211 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 26.1 tt0 -96.34 -34.08 11.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.797 -175.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.491 ' HG3' HG22 ' B' ' 36' ' ' ILE . 34.9 mt-30 -62.06 117.0 5.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.181 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -118.0 98.67 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.606 HD23 HD13 ' B' ' 69' ' ' LEU . 94.0 mt -77.88 112.83 15.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.35 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mt -99.58 106.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.211 0.529 . . . . 0.0 111.129 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -108.87 118.44 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.453 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.93 29.43 18.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.941 0.401 . . . . 0.0 110.959 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.685 ' HA3' ' O ' ' A' ' 14' ' ' ASP . . . 82.13 14.74 76.28 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.648 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -119.19 125.34 48.97 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -79.59 119.37 22.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.139 0.495 . . . . 0.0 111.043 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' B' ' 59' ' ' TYR . 23.5 mt -93.51 137.86 32.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.154 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -127.04 170.43 12.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.679 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -67.77 167.24 13.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.252 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.71 -43.48 2.75 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -79.57 156.9 27.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 110.454 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 32.3 p -102.71 164.85 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.611 HD12 ' O ' ' B' ' 18' ' ' GLU . 70.7 mt -63.95 -27.37 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.586 177.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 28.5 t -74.65 -26.09 59.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.117 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.93 -30.64 65.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -175.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.461 ' CD2' HD22 ' B' ' 50' ' ' LEU . 71.7 m-85 -95.15 7.98 44.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 59.87 39.54 20.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.49 129.01 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.945 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -101.31 -174.77 2.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.194 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 34.2 mmtp -67.02 147.87 52.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.299 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 42.95 43.52 3.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.237 1.015 . . . . 0.0 113.439 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -86.12 146.47 26.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.984 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -98.7 103.7 15.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.234 0.54 . . . . 0.0 111.095 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.52 150.23 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.735 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.539 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 62.5 m-70 -103.82 117.7 34.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.606 HD13 HD23 ' B' ' 43' ' ' LEU . 57.5 tp -88.28 100.84 13.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.231 0.538 . . . . 0.0 110.445 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.525 HG22 HE22 ' A' ' 59' ' ' GLN . 59.9 t -95.18 136.63 25.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.471 HD12 HE21 ' B' ' 40' ' ' GLN . 3.3 mm? -96.57 130.36 43.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.263 0.554 . . . . 0.0 111.187 -173.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 62.7 ttt180 -68.12 123.61 21.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.671 174.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.425 ' HG ' ' H ' ' B' ' 73' ' ' LEU . 1.8 pp -73.95 26.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' B' ' 72' ' ' ARG . 77.2 mtm180 64.0 103.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.572 0.749 . . . . 0.0 112.01 175.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.64 -148.17 5.87 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.646 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.917 0 CA-C-O 118.345 -1.253 . . . . 0.0 111.527 179.064 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.7 mtp . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.32 0.105 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.21 100.82 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.107 0.563 . . . . 0.0 111.571 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 p -128.38 149.31 50.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.211 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -85.51 89.83 7.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -65.13 -43.01 93.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 49.38 63.4 2.17 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.481 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.815 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.26 142.03 45.31 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.877 176.511 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -111.13 145.71 38.13 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.2 147.04 18.96 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.462 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.473 HG13 HG22 ' A' ' 64' ' ' VAL . 75.7 mt -111.69 107.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 25' ' ' ILE . 3.2 p -71.3 128.89 34.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.132 0.492 . . . . 0.0 110.78 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -95.84 -17.22 21.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.793 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 60' ' ' PHE . 94.9 m-85 -110.73 175.75 5.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.367 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -113.39 115.74 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 86.7 t80 -124.2 104.61 8.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.061 0.458 . . . . 0.0 110.668 -177.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.651 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.8 mpp? -88.11 116.08 26.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.736 175.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -65.44 135.45 55.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.817 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -94.89 -42.89 8.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -97.79 168.58 10.23 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.136 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -77.81 -20.09 53.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.25 -12.94 57.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.091 0.472 . . . . 0.0 110.862 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 41.8 mt-10 -91.35 161.78 14.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 37.8 tp -118.59 126.66 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 0.0 110.779 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.651 HG23 ' HA ' ' A' ' 16' ' ' MET . 30.7 m -75.2 111.62 10.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 11' ' ' VAL . 12.5 pt -122.96 132.69 70.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.494 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 1.7 mppt? -109.85 147.58 33.07 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 p -52.71 118.47 3.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 0.0 111.619 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.65 30.83 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.732 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -67.43 131.88 46.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.015 0.436 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HB3' HG11 ' A' ' 48' ' ' VAL . 3.4 tppt? -82.77 124.34 30.17 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 171.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 HD23 ' A' ' 47' ' ' LEU . 16.2 m -124.81 144.11 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.1 0.476 . . . . 0.0 111.346 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.6 112.16 23.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.05 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.646 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 41.5 mt -82.95 104.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.971 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.84 -50.28 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.609 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.541 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 12.1 t70 -117.21 116.95 28.27 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 8.7 p-10 -131.85 2.18 4.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.315 1.01 . . . . 0.0 110.672 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -114.18 -37.89 4.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -75.67 -31.18 59.65 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.195 -174.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -113.84 152.89 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -125.1 11.98 8.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.95 -52.82 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.947 -175.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -124.62 121.39 34.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.053 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -102.44 163.74 12.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.747 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.541 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 33.1 mtp -101.94 112.79 25.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.538 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 88.5 m -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.073 0.463 . . . . 0.0 111.058 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 59.1 tt0 -117.55 128.7 55.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.711 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.54 HD23 HG12 ' A' ' 31' ' ' VAL . 96.4 mt -67.75 116.27 8.25 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 30' ' ' LYS . 10.3 p -67.2 -30.38 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.866 0.841 . . . . 0.0 110.04 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.79 -42.15 41.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.806 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 m -95.46 -39.39 10.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.94 48.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.01 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -87.78 147.43 25.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 3.5 m -112.56 147.1 37.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.832 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -162.25 177.85 38.27 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.508 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.35 134.15 34.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.6 m -136.27 151.0 72.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.14 124.48 14.93 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.872 2.381 . . . . 0.0 112.062 176.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.88 -36.08 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.726 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.67 -28.56 68.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.531 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.438 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 5.0 m-30 -84.29 -20.46 32.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 111.358 -172.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.8 mm -92.57 127.6 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -176.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' OE2' ' HG3' ' A' ' 68' ' ' LYS . 12.1 tp10 -102.54 106.5 49.63 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.79 131.12 31.85 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.754 2.303 . . . . 0.0 112.491 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.473 HG22 HG13 ' A' ' 10' ' ' ILE . 14.8 t -79.88 65.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 122.051 0.929 . . . . 0.0 109.857 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 66' ' ' ASP . 82.1 mtp180 -133.16 -65.08 0.71 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 172.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.631 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 38.5 t70 171.19 116.23 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 114.341 -1.3 . . . . 0.0 109.002 168.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 16.8 ptmt 59.25 177.41 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.921 -178.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' HG3' ' OE2' ' A' ' 62' ' ' GLU . 27.2 mtpp -100.17 127.1 46.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.17 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -75.81 98.51 4.18 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -97.29 148.67 22.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.061 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.109 178.489 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.475 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 14.4 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.158 0.504 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.48 141.66 48.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.041 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.81 162.39 35.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.32 106.58 14.77 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.643 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.0 p -92.68 104.59 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.781 0.801 . . . . 0.0 110.086 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 52.1 tttm -99.98 112.87 25.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.412 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.586 HG22 HD23 ' B' ' 69' ' ' LEU . 68.8 p -69.82 169.12 13.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.136 0.493 . . . . 0.0 111.243 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.443 HD23 HG13 ' B' ' 70' ' ' VAL . 1.3 pp -72.48 -12.22 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.699 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -89.19 -19.52 25.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.332 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.32 9.45 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.655 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -94.51 103.2 15.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.928 0.394 . . . . 0.0 109.948 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 25.7 m -95.4 107.28 19.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.643 ' HB ' HG13 ' B' ' 5' ' ' VAL . 35.3 mt -97.8 130.0 47.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.3 m -82.26 111.03 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -114.46 121.57 43.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.668 -174.681 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -94.86 111.05 22.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.239 0.542 . . . . 0.0 110.365 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.616 HG11 HG22 ' B' ' 26' ' ' VAL . 2.8 m -141.81 140.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.696 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.405 ' O ' HD12 ' B' ' 56' ' ' LEU . 36.5 mm-40 -87.26 161.74 17.82 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -175.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -60.18 -22.46 62.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.125 0.488 . . . . 0.0 111.264 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.0 p -91.18 -5.56 54.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.758 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.05 152.42 27.89 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.27 0.557 . . . . 0.0 111.003 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.4 p -86.37 163.08 17.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.706 -178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.433 HG13 ' HE2' ' B' ' 59' ' ' TYR . 47.4 mm -65.24 -29.62 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.04 -48.86 77.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.463 174.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.857 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.616 HG22 HG11 ' B' ' 17' ' ' VAL . 9.0 t -60.48 -46.85 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.426 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 89.6 mttt -59.24 -39.09 81.68 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.921 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.4 m -61.64 -41.88 98.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.734 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.536 ' HB2' HD11 ' B' ' 15' ' ' LEU . 98.6 mttt -71.67 -29.89 65.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.996 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 26' ' ' VAL . 71.9 mt -72.59 -37.7 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.054 0.454 . . . . 0.0 109.956 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.74 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.408 0.623 . . . . 0.0 109.53 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.82 -32.98 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.684 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -77.69 -69.45 0.54 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.661 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -92.35 -21.54 20.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.78 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.07 41.42 7.54 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.611 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.16 127.42 28.34 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.6 Cg_endo -56.89 127.14 24.63 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.619 2.212 . . . . 0.0 111.964 177.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 48.9 Cg_exo -57.89 -33.33 96.91 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.267 2.644 . . . . 0.0 112.321 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.36 -35.29 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.61 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.548 ' NE2' HD13 ' B' ' 71' ' ' LEU . 22.8 tt0 -87.52 -18.39 29.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.208 -173.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 65.3 mt-30 -78.88 116.91 19.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.747 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -118.65 108.49 14.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.416 ' N ' HD12 ' B' ' 43' ' ' LEU . 5.9 mp -89.52 108.26 19.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 -174.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.658 HG12 ' HG2' ' B' ' 49' ' ' GLN . 62.8 mt -99.41 117.62 44.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.098 0.475 . . . . 0.0 110.378 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 76.0 t80 -126.59 110.89 13.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.548 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 37.58 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.852 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.78 -8.83 79.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.834 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -98.13 125.26 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.913 0.387 . . . . 0.0 110.458 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.658 ' HG2' HG12 ' B' ' 44' ' ' ILE . 50.0 mt-30 -94.8 113.46 25.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.125 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.82 126.55 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.639 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -123.67 167.84 13.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.999 0.428 . . . . 0.0 110.731 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -70.08 152.12 44.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.0 7.03 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -101.28 164.75 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 60.9 p -105.56 179.91 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.405 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -68.27 -23.22 64.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 109.827 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -75.64 -37.13 59.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.237 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.72 -45.96 85.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.432 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.433 ' HE2' HG13 ' B' ' 23' ' ' ILE . 72.0 m-85 -86.49 -13.93 44.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 64.89 68.5 0.51 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.246 0.546 . . . . 0.0 110.791 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -103.71 145.42 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.583 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -106.0 166.89 10.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.795 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.475 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 20.1 pttp -80.72 155.8 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 60.1 29.35 18.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.969 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.482 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 19.4 p -89.36 156.65 18.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.403 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.1 m -106.16 103.21 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 111.218 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.435 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.1 mp -89.64 153.08 21.02 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 79.8 m-70 -112.03 116.52 30.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.586 HD23 HG22 ' B' ' 7' ' ' THR . 43.2 tp -86.62 107.86 18.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 0.0 110.602 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.479 HG21 HD12 ' B' ' 44' ' ' ILE . 57.8 t -106.0 122.14 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.548 HD13 ' NE2' ' B' ' 40' ' ' GLN . 34.3 mt -89.63 147.89 23.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.905 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -88.77 -10.73 47.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.131 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 20.8 tp 61.9 50.33 4.26 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.674 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -106.99 -12.83 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.608 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.65 97.95 1.02 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.459 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.664 -1.076 . . . . 0.0 111.875 179.185 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.16 -30.6 68.29 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.6 m -81.11 35.66 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 111.43 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -79.4 78.11 5.92 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 m -108.61 111.43 23.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.042 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -102.11 81.57 2.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.363 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.703 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 68.0 mttm -81.41 153.25 27.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.787 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -106.71 134.86 49.22 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.99 137.3 9.14 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.547 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.421 HG13 ' CG2' ' A' ' 64' ' ' VAL . 63.8 mt -111.68 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 11' ' ' VAL . 2.7 p -69.59 126.86 30.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.287 0.565 . . . . 0.0 111.031 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -85.46 -53.6 5.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.973 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-85 -85.08 -169.62 2.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -105.45 144.1 32.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 72.0 t80 -140.82 124.48 16.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 176.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.9 mmt -106.69 128.92 54.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.22 119.56 19.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -90.75 -33.16 15.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.906 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 t -112.15 169.42 8.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -75.72 -13.27 60.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.221 0.534 . . . . 0.0 110.373 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -72.33 -37.65 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.039 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 4.7 mp0 -78.79 -178.3 5.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.448 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.616 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 34.3 tp -140.66 129.85 23.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.295 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 m -73.25 107.91 5.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.241 0.543 . . . . 0.0 110.803 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CG1' ' HB3' ' A' ' 15' ' ' PHE . 20.8 pt -122.15 120.87 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.02 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.2 154.08 18.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.279 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.0 t -57.83 115.91 3.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.6 1.54 29.14 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.305 -176.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.48 171.65 14.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.021 0.439 . . . . 0.0 110.549 177.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.7 tttt -130.37 116.5 18.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.312 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.641 ' HB ' ' HB2' ' A' ' 45' ' ' CYS . 16.0 m -128.17 144.3 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.361 -174.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CE2' HG22 ' A' ' 48' ' ' VAL . 56.2 m-85 -95.06 135.2 36.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.385 170.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 48.7 mt -93.0 111.61 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.54 HD11 HE21 ' A' ' 46' ' ' GLN . 81.3 mt -81.9 -54.39 5.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.336 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.932 ' HB3' ' HB2' ' A' ' 38' ' ' LYS . 1.9 m-20 -120.63 106.43 11.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.59 -20.45 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.951 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.96 18.81 14.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.195 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.932 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 53.2 tttm -62.28 -45.6 92.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -125.0 -81.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.092 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -175.79 -54.67 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.921 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -97.21 -48.15 5.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.082 0.468 . . . . 0.0 110.202 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -71.96 109.61 5.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.202 0.525 . . . . 0.0 110.571 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 49.6 m0 -108.5 158.12 17.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.281 -176.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.424 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 41.1 mtp -98.52 100.4 11.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.641 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.5 p -99.62 150.62 22.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.54 HE21 HD11 ' A' ' 34' ' ' LEU . 8.9 tt0 -127.54 125.22 39.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.105 178.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.558 ' HG ' HD21 ' A' ' 23' ' ' LEU . 82.7 mt -66.14 127.89 33.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.275 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 30' ' ' LYS . 38.9 t -63.48 -31.18 51.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.743 -174.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.64 -63.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -109.93 -13.59 14.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 111.634 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.19 35.35 9.73 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.0 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HB2' HD12 ' A' ' 47' ' ' LEU . 66.3 mttm -87.17 120.0 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -111.56 150.52 29.9 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.798 0.332 . . . . 0.0 110.955 -176.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.616 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -168.96 169.19 41.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.898 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' TRP . 4.2 mm? -82.17 128.48 34.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.839 0.352 . . . . 0.0 110.773 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.23 149.62 61.5 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.01 139.63 80.09 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.272 2.648 . . . . 0.0 113.366 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.47 62.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.625 0.726 . . . . 0.0 109.262 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -63.22 -16.54 60.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.73 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.43 ' HD1' ' CD1' ' A' ' 13' ' ' TYR . 22.0 m-85 -114.65 -15.17 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.536 -177.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -175.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -92.24 113.0 57.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HB3' ' HB3' ' A' ' 66' ' ' ASP . 30.7 Cg_exo -61.58 120.9 8.78 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.577 2.185 . . . . 0.0 111.102 177.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.421 ' CG2' HG13 ' A' ' 10' ' ' ILE . 48.9 t -80.74 99.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 60.3 21.52 11.0 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.604 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' HB3' ' A' ' 63' ' ' PRO . 37.4 t70 -94.71 132.09 39.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.614 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -77.67 102.34 7.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.296 0.57 . . . . 0.0 112.245 -172.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -140.23 136.41 33.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.536 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -135.63 177.51 7.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.035 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.3 m -74.67 -35.59 62.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--O 1.252 1.201 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.338 171.72 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.688 ' HB3' ' HG2' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.087 0.47 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -116.5 146.73 42.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.554 ' HB ' HD13 ' B' ' 67' ' ' LEU . 26.1 pt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 173.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -88.97 94.65 10.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.107 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.51 100.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.488 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -89.73 108.59 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.924 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.564 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.5 p -75.81 167.99 20.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.202 -173.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 8' ' ' LEU . 4.5 tt -58.86 -33.7 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.552 174.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -76.1 -3.45 36.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.759 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.48 25.17 40.17 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.654 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -99.57 129.86 45.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -96.0 90.38 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.098 0.475 . . . . 0.0 109.841 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 mm -95.04 108.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.248 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -76.16 111.72 11.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.429 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.0 129.7 43.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -90.69 100.89 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.321 0.581 . . . . 0.0 109.452 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.47 163.52 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.885 -176.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -113.04 161.88 16.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -68.38 -18.06 64.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -94.08 -2.88 52.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.67 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.7 158.21 28.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.741 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 22.3 p -92.81 161.89 14.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.647 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -62.69 -30.13 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.66 -49.35 75.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.967 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.501 ' O ' HG13 ' B' ' 30' ' ' ILE . 19.3 t -60.65 -46.11 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 83.9 mttt -58.95 -41.44 87.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -67.22 -36.81 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.739 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -64.91 -40.58 95.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.015 0.435 . . . . 0.0 110.674 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 26' ' ' VAL . 52.7 mt -69.26 -36.97 75.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.086 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.3 tt0 -68.17 -31.62 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.137 0.494 . . . . 0.0 110.501 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.78 -41.57 83.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -87.12 -49.5 7.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.28 -48.85 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.444 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 99.2 41.54 2.99 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.613 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.542 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 49.9 mt -112.42 135.85 21.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.7 Cg_endo -53.17 128.67 30.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.905 2.403 . . . . 0.0 112.502 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.7 Cg_exo -58.73 -37.69 92.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.29 2.66 . . . . 0.0 113.611 -174.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.9 -30.13 68.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 0.0 110.431 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.416 HE21 HD12 ' B' ' 71' ' ' LEU . 22.8 tt0 -79.82 -34.82 39.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.061 177.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.542 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 26.9 mt-30 -68.09 99.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 177.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -112.12 108.8 18.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.354 0.597 . . . . 0.0 110.427 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 85.4 mt -78.97 146.93 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.325 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -130.61 120.67 48.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -107.67 103.53 12.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.536 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.04 17.37 6.67 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.573 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.99 -16.7 13.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.071 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.21 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -67.27 143.25 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.93 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 27.3 mt -115.32 103.55 10.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.725 0.298 . . . . 0.0 110.955 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.28 154.54 19.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.647 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.8 p-10 -78.17 164.68 24.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 177.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.98 -10.34 60.27 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.392 -174.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.603 ' HD2' ' OH ' ' B' ' 59' ' ' TYR . 50.4 mtt180 -126.63 173.05 9.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.741 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 52.1 p -103.08 176.09 5.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.698 0.285 . . . . 0.0 110.968 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.96 -29.68 70.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 110.046 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -71.78 -22.55 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -73.75 -6.71 48.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.303 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.603 ' OH ' ' HD2' ' B' ' 54' ' ' ARG . 93.0 m-85 -123.77 13.49 9.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -177.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 65.07 21.23 12.2 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.239 0.542 . . . . 0.0 111.025 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.75 133.84 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -108.86 -177.96 3.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.41 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.688 ' HG2' ' HB3' ' B' ' 1' ' ' MET . 96.9 mttt -73.35 147.18 44.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.826 -175.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 63.41 28.92 15.6 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.132 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.1 m -78.52 152.07 32.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.746 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 84.8 m -104.29 124.31 48.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.183 175.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.554 HD13 ' HB ' ' B' ' 3' ' ' ILE . 6.8 mp -120.56 169.93 9.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.963 0.411 . . . . 0.0 110.652 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -122.06 138.65 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.004 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.564 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 58.3 tp -106.47 102.16 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.873 0.368 . . . . 0.0 110.366 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.6 t -102.59 129.75 53.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.5 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.416 HD12 HE21 ' B' ' 40' ' ' GLN . 2.9 mm? -83.23 127.86 34.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.145 0.498 . . . . 0.0 110.598 -176.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -70.27 133.14 46.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.477 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.98 30.14 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.061 0.458 . . . . 0.0 110.803 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -137.45 142.31 41.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.302 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.46 -62.02 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.767 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.338 -1.257 . . . . 0.0 111.803 178.649 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.7 mtp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.81 173.97 12.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.685 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m 65.82 172.58 0.23 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.508 0.671 . . . . 0.0 112.198 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -131.2 -48.41 1.0 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.95 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 p -139.89 -57.51 0.56 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.748 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -175.19 155.3 1.9 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 46.8 mttm -70.85 131.73 44.21 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 84.3 mtm180 -135.59 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.884 0.373 . . . . 0.0 111.07 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.86 174.07 32.44 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.579 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.462 HD12 ' HZ3' ' A' ' 68' ' ' LYS . 52.1 mt -127.99 129.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG21 HD12 ' A' ' 25' ' ' ILE . 2.5 p -87.01 127.15 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 0.0 111.006 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -102.46 -37.06 8.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.741 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.2 136.52 46.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.74 -176.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.45 138.94 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.185 177.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.449 ' HB3' HG12 ' A' ' 25' ' ' ILE . 82.2 t80 -140.88 139.48 34.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.002 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.409 ' HA ' HG23 ' A' ' 24' ' ' THR . 78.2 mtp -115.2 131.4 56.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.506 -176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.87 -39.78 10.06 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 m -102.77 158.68 16.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.326 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -70.06 -17.96 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 -177.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HB3' HD12 ' A' ' 55' ' ' LEU . 22.4 m-20 -74.65 -23.01 58.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.145 0.497 . . . . 0.0 110.371 177.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 42' ' ' TRP . 56.0 mt-10 -85.98 161.96 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.035 -173.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD21 ' HG ' ' A' ' 47' ' ' LEU . 55.2 tp -126.17 122.71 36.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.94 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 16' ' ' MET . 84.9 m -70.28 121.95 18.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.368 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 15' ' ' PHE . 16.6 pt -127.34 144.24 37.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.523 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -105.18 144.4 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.152 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -66.84 138.5 57.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.246 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.28 -0.04 61.67 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.876 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -91.23 158.13 16.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.192 0.52 . . . . 0.0 111.355 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 48' ' ' VAL . 12.6 mmmm -97.42 135.75 38.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.367 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.599 HG12 HD23 ' A' ' 47' ' ' LEU . 28.6 m -132.09 146.35 33.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.582 ' HB2' ' HB3' ' A' ' 46' ' ' GLN . 80.7 m-85 -91.17 154.78 19.09 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 36' ' ' ASP . 52.3 mt -115.22 121.37 67.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 121.094 0.473 . . . . 0.0 110.134 178.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 52.5 mt -80.11 -56.3 4.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.531 ' H ' ' HB2' ' A' ' 44' ' ' MET . 27.7 m-20 -132.66 123.15 25.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.331 176.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.608 ' HB3' HG21 ' A' ' 33' ' ' ILE . 9.1 p-10 -112.91 -7.6 13.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.494 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 12.7 ptpt -130.04 8.64 5.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.88 -28.43 49.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 p -148.26 151.91 36.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.132 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -99.66 -21.41 15.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.659 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.554 ' HB3' HD13 ' B' ' 8' ' ' LEU . 5.8 m-20 -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.768 -172.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 22' ' ' GLU . 37.4 m95 -123.61 143.55 50.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.457 -0.792 . . . . 0.0 108.952 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CZ3' ' HG3' ' A' ' 63' ' ' PRO . 43.1 m0 -113.57 159.84 19.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 0.0 111.488 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.531 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 67.7 mmm -92.65 97.18 10.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.302 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -105.65 146.23 29.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.321 0.582 . . . . 0.0 111.794 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 38.0 tt0 -121.46 118.85 30.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.947 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.599 HD23 HG12 ' A' ' 31' ' ' VAL . 95.8 mt -70.44 118.2 12.95 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 30' ' ' LYS . 8.8 p -63.56 -36.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.603 0.716 . . . . 0.0 110.103 176.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.18 -60.35 3.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.517 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.9 m -104.66 -38.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.79 17.98 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.835 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.33 141.01 58.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 111.216 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -125.49 156.53 38.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.46 -173.33 45.73 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.538 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.402 HD12 ' HB3' ' A' ' 21' ' ' ASP . 87.5 mt -88.1 127.66 35.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 110.834 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.13 153.79 81.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.807 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.5 123.75 13.71 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.447 2.098 . . . . 0.0 111.704 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.55 -31.89 64.61 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 59' ' ' GLN . 8.1 tt0 -78.34 -6.71 55.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.681 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -93.23 -4.24 52.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.167 -0.333 . . . . 0.0 110.904 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mm -121.15 133.76 66.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.253 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -95.65 109.83 47.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 167.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.1 Cg_exo -76.39 115.77 4.17 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.214 1.942 . . . . 0.0 110.674 177.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.1 p -82.82 78.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.273 1.035 . . . . 0.0 110.206 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 65' ' ' ARG . 17.4 mtm180 -93.48 -33.31 13.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.906 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -160.12 -61.89 0.06 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.019 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -117.63 146.95 43.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.528 . . . . 0.0 111.994 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.462 ' HZ3' HD12 ' A' ' 10' ' ' ILE . 15.2 mtpp -129.86 159.48 36.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.933 176.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -84.58 -40.44 17.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.872 0.368 . . . . 0.0 110.389 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.3 p -78.8 95.76 5.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.391 0.615 . . . . 0.0 112.04 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.055 174.129 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.577 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 17.3 ptt? . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -112.93 123.98 51.57 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.411 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.438 ' HB ' HD13 ' B' ' 67' ' ' LEU . 35.5 pt -117.42 146.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.54 173.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -95.38 102.88 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.364 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.9 t -94.6 108.52 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.718 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.91 111.28 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.504 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.622 HG22 HD23 ' B' ' 69' ' ' LEU . 47.4 p -77.02 165.01 25.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.893 HD11 ' H ' ' B' ' 71' ' ' LEU . 49.0 mt -51.42 -34.8 36.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 111.471 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -83.67 2.04 39.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.927 -172.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.33 0.33 61.38 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.772 -0.727 . . . . 0.0 113.063 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -71.38 111.82 7.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.7 m -95.0 95.16 8.42 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 mt -100.77 113.08 35.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.112 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -76.07 111.59 11.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.45 131.68 54.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -81.87 105.0 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.521 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.06 141.99 43.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.312 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.562 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.4 OUTLIER -92.22 154.81 18.41 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.9 p -64.94 -26.62 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.257 0.551 . . . . 0.0 110.325 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.3 m -85.68 0.18 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.537 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.0 m-20 -79.5 152.69 30.06 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 53.7 p -91.58 159.98 15.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.763 174.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.594 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.4 mm -61.43 -29.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 172.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.95 -47.93 83.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.283 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.679 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.4 t30 -69.97 -36.28 75.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.32 -177.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -60.59 -40.69 85.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 86.0 mttt -61.29 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.365 178.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.9 p -73.17 -26.75 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.253 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.5 mttm -62.22 -49.0 77.49 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.6 mt -71.57 -35.41 56.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.548 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 24.1 tm0? -62.73 -29.36 70.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.077 0.465 . . . . 0.0 109.941 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.05 -52.18 7.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.968 176.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -64.94 -53.5 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.762 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -100.88 -40.46 7.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.787 0.327 . . . . 0.0 111.206 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 102.04 40.77 2.58 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.689 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.518 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 27.6 mt -106.7 122.81 40.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 122.698 -0.295 . . . . 0.0 110.28 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.3 Cg_endo -51.35 128.72 26.51 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.496 2.797 . . . . 0.0 112.9 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HG3' ' B' ' 31' ' ' GLN . 38.9 Cg_exo -61.64 -34.64 83.84 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.37 2.713 . . . . 0.0 113.202 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.94 -28.26 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 0.0 110.229 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' B' ' 72' ' ' ARG . 27.8 tt0 -78.98 -36.02 42.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.57 ' HB3' HD11 ' B' ' 69' ' ' LEU . 27.5 mt-30 -70.02 116.51 10.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.121 -176.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 70.6 mtp180 -118.15 111.14 18.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.817 173.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -87.17 132.83 33.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.403 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.18 121.58 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 110.266 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -128.76 112.73 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.624 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 39.48 27.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.658 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.48 -4.78 80.59 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.515 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.12 112.98 25.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.707 0.289 . . . . 0.0 110.471 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.461 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.9 mp0 -72.42 115.05 11.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 67.6 mt -84.59 106.12 15.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.346 0.593 . . . . 0.0 111.617 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -77.13 141.12 40.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.225 174.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.594 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.4 p30 -85.71 150.18 24.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.08 -4.37 30.2 Favored Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -167.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -122.14 165.79 15.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 75.2 p -101.65 168.32 9.55 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.25 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.6 t -70.82 -28.36 64.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.739 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.13 -42.23 84.78 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.978 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -89.45 -13.54 37.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 60.28 76.96 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.678 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.4 132.22 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.593 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.44 177.66 6.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.17 0.51 . . . . 0.0 111.035 -175.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.577 ' HG3' ' HB2' ' B' ' 1' ' ' MET . 25.0 ttpp -86.1 152.16 23.09 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 172.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 72.29 8.05 5.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.507 0.504 . . . . 0.0 110.761 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 56.2 m -79.17 143.22 35.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 0.0 111.06 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 33.2 m -101.93 117.63 35.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.88 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.438 HD13 ' HB ' ' B' ' 3' ' ' ILE . 6.9 mp -108.35 147.33 31.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.562 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -111.85 127.82 55.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.622 HD23 HG22 ' B' ' 7' ' ' THR . 43.3 tp -100.53 103.66 15.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.1 0.476 . . . . 0.0 110.945 -175.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.623 HG13 HD21 ' B' ' 8' ' ' LEU . 23.1 t -98.31 127.99 50.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.09 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.893 ' H ' HD11 ' B' ' 8' ' ' LEU . 87.6 mt -101.15 134.38 44.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.154 0.502 . . . . 0.0 111.523 -172.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 37.9 ttt180 -67.51 139.88 57.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.879 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -76.33 8.13 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 65.68 -67.57 0.13 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.779 0.832 . . . . 0.0 111.252 -178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -171.01 75.77 0.1 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.826 -0.986 . . . . 0.0 111.946 -177.278 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.566 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 69.3 mtm . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.96 60.3 6.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.11 0.481 . . . . 0.0 110.285 176.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -95.93 169.78 9.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.794 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -79.0 102.0 8.1 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m 73.56 138.87 0.06 Allowed 'General case' 0 C--O 1.232 0.163 0 O-C-N 124.117 0.885 . . . . 0.0 111.552 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -74.01 110.91 8.68 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 92.8 mttt -67.18 145.91 54.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.078 -174.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -109.88 128.37 55.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.469 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -136.25 162.26 25.04 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.478 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.7 mt -126.45 133.02 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.613 HG21 HD12 ' A' ' 25' ' ' ILE . 3.4 p -82.7 136.68 22.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -99.4 -25.87 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.103 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -125.96 146.74 49.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.618 0.247 . . . . 0.0 111.052 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.95 128.95 36.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 87.1 t80 -127.54 110.42 12.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.136 0.493 . . . . 0.0 110.071 177.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.645 ' HA ' HG23 ' A' ' 24' ' ' THR . 82.5 mtp -93.34 118.14 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.879 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -70.64 140.39 51.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.208 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.24 -19.87 16.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.1 p -123.06 173.24 7.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -72.97 -25.12 60.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.537 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB3' HD12 ' A' ' 55' ' ' LEU . 2.1 m-20 -65.78 -38.93 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.323 0.582 . . . . 0.0 110.842 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.654 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 16.3 mt-10 -82.12 156.74 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.773 -175.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD21 ' HG ' ' A' ' 47' ' ' LEU . 59.7 tp -107.99 119.15 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.645 HG23 ' HA ' ' A' ' 16' ' ' MET . 36.0 m -70.64 113.44 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 177.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.613 HD12 HG21 ' A' ' 11' ' ' VAL . 9.2 pt -119.17 149.72 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.326 -174.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -116.29 145.33 43.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.761 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -56.29 117.96 4.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.898 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.28 -12.57 31.11 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.438 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.6 138.83 55.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.618 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -91.83 133.1 35.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.237 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.673 HG21 HD12 ' A' ' 61' ' ' ILE . 8.2 m -129.16 140.26 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.16 0.505 . . . . 0.0 111.447 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 45' ' ' CYS . 28.5 m-85 -89.07 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.335 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.1 mt -91.59 113.2 26.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.942 0.401 . . . . 0.0 110.047 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 3.3 mm? -82.99 -59.67 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.131 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.477 ' H ' ' HB2' ' A' ' 44' ' ' MET . 8.7 t70 -129.67 119.21 23.16 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.426 177.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.526 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 11.8 p-10 -118.79 18.78 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.177 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -111.51 -30.11 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.834 -170.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 35' ' ' ASP . 45.7 mmtm -70.51 -34.58 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.091 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -147.48 166.8 26.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.033 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.672 ' HD3' ' H ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -122.74 8.69 9.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.519 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.516 ' HA ' HD22 ' B' ' 8' ' ' LEU . 9.9 m-20 -102.85 -52.58 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.692 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -124.13 137.14 54.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.686 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 27.3 m0 -120.95 162.11 20.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.475 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.585 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 80.4 mmm -90.93 121.24 32.59 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 173.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.464 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 90.6 m -134.47 155.38 50.45 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.739 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -127.56 130.36 48.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.052 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.477 HD21 HG22 ' A' ' 25' ' ' ILE . 96.2 mt -66.43 114.02 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 32' ' ' TYR . 68.8 t -58.26 -30.82 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 0.0 110.796 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.41 -53.27 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.969 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -96.57 -40.38 9.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.72 -3.93 36.55 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.58 145.59 38.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.563 0.221 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 t -127.89 165.72 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.79 0.329 . . . . 0.0 110.249 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.59 -171.73 44.21 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' ' 21' ' ' ASP . 77.6 mt -87.03 129.7 34.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.324 . . . . 0.0 110.896 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 30.7 m -134.69 147.56 63.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 19.0 Cg_exo -66.9 126.43 15.25 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.641 2.227 . . . . 0.0 111.695 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.32 -15.47 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.29 -174.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.819 HE21 ' HG ' ' B' ' 8' ' ' LEU . 11.3 pt20 -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.254 -177.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -110.86 -9.53 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.309 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 31' ' ' VAL . 49.3 mm -101.13 114.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -108.79 106.06 58.12 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HA ' ' HA2' ' A' ' 9' ' ' GLY . 22.7 Cg_exo -65.51 131.92 29.45 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.61 2.207 . . . . 0.0 111.423 175.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m -78.04 -43.96 27.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.691 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -167.91 131.8 1.69 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.688 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB3' ' H ' ' A' ' 67' ' ' LYS . 14.5 t70 178.68 -84.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 9.9 mmtp -163.55 95.01 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.761 170.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.503 ' HD3' ' HB2' ' A' ' 63' ' ' PRO . 50.1 mtmt -94.62 -8.15 38.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.227 0.536 . . . . 0.0 110.402 177.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -113.7 150.32 33.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.944 176.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.2 p -85.01 137.46 33.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.316 -0.85 . . . . 0.0 109.707 -179.566 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.674 0.749 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -97.05 125.58 41.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.009 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -117.53 152.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -104.21 98.3 8.13 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.467 HG13 ' HB ' ' B' ' 13' ' ' ILE . 3.3 p -86.22 106.2 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.749 0.785 . . . . 0.0 110.137 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -93.34 106.64 18.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.478 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.567 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 63.3 p -74.79 170.1 16.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.819 ' HG ' HE21 ' A' ' 59' ' ' GLN . 2.4 tt -61.56 -30.05 70.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.204 177.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.8 p -81.31 -2.15 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.756 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.87 1.16 73.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.519 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -75.74 113.37 13.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -100.94 105.22 16.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.015 0.436 . . . . 0.0 110.114 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.467 ' HB ' HG13 ' B' ' 5' ' ' VAL . 53.3 mt -99.35 135.04 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 -176.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -82.77 111.45 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.567 HD12 HG13 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -109.06 126.04 52.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -91.53 104.62 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.19 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.567 HG13 HD12 ' B' ' 15' ' ' LEU . 31.2 m -134.9 154.7 37.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.656 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.42 156.33 23.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.629 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 12.9 m -66.25 -23.96 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.399 . . . . 0.0 111.34 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -82.27 -0.48 45.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.931 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -99.4 164.18 12.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.679 0.276 . . . . 0.0 110.543 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -91.05 164.06 14.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.503 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.421 HD12 HD23 ' B' ' 50' ' ' LEU . 49.9 mm -65.37 -29.58 47.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.276 0.56 . . . . 0.0 109.694 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 11.2 t70 -64.04 -41.55 97.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.421 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.673 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 23.9 t-20 -62.8 -42.49 99.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.796 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.515 ' O ' HG13 ' B' ' 30' ' ' ILE . 63.5 t -58.68 -42.11 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.405 174.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 91.2 mttt -53.77 -47.61 70.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.153 177.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -65.98 -34.91 79.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.989 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.673 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.4 mttm -67.89 -29.75 68.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.675 0.274 . . . . 0.0 110.976 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.515 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -75.69 -41.6 40.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.756 0.312 . . . . 0.0 110.21 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.432 ' HG3' ' HA2' ' B' ' 35' ' ' GLY . 32.5 tt0 -63.7 -34.75 78.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 109.892 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.7 -30.23 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 44.1 mmtm -91.02 -69.37 0.74 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.719 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.95 -48.36 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.33 -171.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.432 ' HA2' ' HG3' ' B' ' 31' ' ' GLN . . . 118.82 -3.6 14.73 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.516 175.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.01 129.01 91.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.795 0.298 . . . . 0.0 110.794 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -56.06 132.98 55.22 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.088 2.525 . . . . 0.0 113.026 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -60.45 -26.87 83.74 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.481 2.787 . . . . 0.0 112.792 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.6 -27.28 67.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.421 0.629 . . . . 0.0 110.34 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -96.31 -29.28 14.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.486 ' HB3' HD11 ' B' ' 69' ' ' LEU . 26.0 mt-30 -72.93 117.81 15.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.782 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.616 ' HD2' ' HB2' ' B' ' 72' ' ' ARG . 74.4 mtp180 -121.4 126.24 48.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 6.4 mp -97.24 138.59 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -178.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -125.27 125.47 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.479 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -128.74 111.08 12.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.173 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.88 16.96 9.58 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.81 -15.51 44.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.588 ' HD3' ' HD1' ' B' ' 59' ' ' TYR . 24.0 ttmm -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -91.51 124.2 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.881 0.372 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.3 mp -93.92 110.7 22.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.524 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -99.77 168.18 10.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.562 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 1.3 p30 -79.2 19.93 0.54 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.165 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.5 0.03 30.88 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.131 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.521 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 72.3 mtt-85 -137.37 174.25 10.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.118 0.459 . . . . 0.0 111.141 -178.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.4 p -102.49 179.18 4.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.654 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 8.0 mp -66.13 -31.44 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 110.516 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 t -68.21 -31.7 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.626 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.06 -37.14 86.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.588 ' HD1' ' HD3' ' B' ' 48' ' ' LYS . 97.8 m-85 -95.66 2.04 53.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.9 m120 57.69 40.35 26.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.277 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.416 HD12 ' HG ' ' B' ' 56' ' ' LEU . 81.3 mt -69.61 124.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.217 -177.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -83.43 165.91 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.727 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -74.77 142.51 44.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.286 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 62.21 30.95 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.779 0.674 . . . . 0.0 111.196 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 p -85.92 155.56 20.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -101.41 103.65 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.233 0.54 . . . . 0.0 110.908 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.401 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.5 mp -93.71 144.13 25.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.499 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -97.85 125.28 42.65 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.567 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 44.2 tp -99.98 110.08 22.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.088 0.47 . . . . 0.0 110.367 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.413 HG22 ' NE2' ' A' ' 59' ' ' GLN . 40.4 t -111.5 136.27 48.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.721 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.69 143.13 29.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.032 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.616 ' HB2' ' HD2' ' B' ' 42' ' ' ARG . 32.2 ttm180 -82.84 -3.0 56.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 175.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 81.6 mt 63.02 85.76 0.13 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.898 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -93.17 108.36 19.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 173.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.83 34.19 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.869 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 119.091 -0.838 . . . . 0.0 111.036 178.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.33 114.78 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.379 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -142.11 -179.58 6.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.809 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.81 -50.19 71.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.874 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -67.42 107.58 2.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.129 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.12 -176.91 6.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.273 -173.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.578 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 67.2 mttt -97.46 136.09 38.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.503 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -117.99 150.5 39.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.288 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.92 159.13 28.31 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.175 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -124.16 125.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -79.0 126.96 39.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.766 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -100.28 -23.86 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.961 -175.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -123.46 134.23 53.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.52 137.01 58.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.243 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.551 ' HB3' HG12 ' A' ' 25' ' ' ILE . 54.6 t80 -130.73 109.04 10.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.997 0.427 . . . . 0.0 111.101 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.438 ' HA ' HG23 ' A' ' 24' ' ' THR . 26.5 mmt -86.56 126.97 34.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.768 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -78.55 122.91 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 111.391 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HB2' ' NE2' ' B' ' 49' ' ' GLN . 10.9 tp10 -88.82 -50.03 6.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 t -93.18 164.35 13.28 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -77.58 -7.32 56.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.995 0.426 . . . . 0.0 111.095 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.24 -27.37 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.37 0.605 . . . . 0.0 109.758 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 35.9 mt-10 -79.68 153.02 29.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.021 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.636 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 47.3 tp -105.72 121.46 44.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 ' HA ' ' A' ' 16' ' ' MET . 4.1 m -76.78 107.1 8.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.892 0.377 . . . . 0.0 110.209 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.551 HG12 ' HB3' ' A' ' 15' ' ' PHE . 14.5 pt -123.78 155.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.467 -173.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -115.91 150.2 37.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.557 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 t -61.68 123.06 16.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.93 -6.17 37.17 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.868 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.64 155.45 31.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.277 0.561 . . . . 0.0 111.132 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB3' HG11 ' A' ' 48' ' ' VAL . 3.6 tmtp? -104.16 129.67 51.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.393 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.522 HG12 HD23 ' A' ' 47' ' ' LEU . 27.7 m -134.49 163.67 36.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.375 0.607 . . . . 0.0 112.053 -177.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.767 ' CE2' HG23 ' A' ' 48' ' ' VAL . 24.8 m-85 -100.84 146.12 27.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 170.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 61.0 mt -103.12 126.24 57.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.8 mm? -98.16 -74.16 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.246 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' HB3' ' HG3' ' A' ' 44' ' ' MET . 14.4 t0 -105.58 112.48 25.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.606 -177.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -122.0 -58.17 1.74 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -66.07 -7.86 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -171.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -77.87 -19.96 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -151.17 167.54 27.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -120.54 13.71 11.77 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.538 ' HB3' HD13 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -114.87 -68.16 0.94 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.054 -170.535 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.523 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 60.0 m95 -118.35 134.48 55.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.206 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -119.25 154.48 33.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.968 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.446 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 41.0 mtp -95.9 124.67 40.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.4 m -132.21 157.95 43.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.103 0.477 . . . . 0.0 111.046 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 53' ' ' SER . 35.3 tt0 -132.03 133.94 44.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.173 -177.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.522 HD23 HG12 ' A' ' 31' ' ' VAL . 97.1 mt -59.84 119.36 7.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.767 HG23 ' CE2' ' A' ' 32' ' ' TYR . 14.0 p -50.07 -49.6 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.951 0.782 . . . . 0.0 113.083 -167.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 48' ' ' VAL . 3.7 p-10 -90.34 -35.43 15.24 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.357 -175.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 m -78.06 -43.36 29.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -170.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.74 -9.56 56.99 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.544 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HB2' HD12 ' A' ' 47' ' ' LEU . 96.2 mttt -67.48 119.37 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.5 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -116.79 141.63 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.357 -177.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.636 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -161.95 -175.78 33.34 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.167 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 28.2 tp -100.43 128.49 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.495 HG11 HD13 ' A' ' 25' ' ' ILE . 29.8 m -135.12 158.13 75.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.939 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.33 134.74 37.24 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.628 2.218 . . . . 0.0 111.946 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.75 73.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.975 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.58 HE21 HD23 ' B' ' 8' ' ' LEU . 9.8 pt20 -80.56 3.45 21.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.103 -176.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.87 -20.22 16.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.069 0.461 . . . . 0.0 110.181 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -107.77 126.96 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.376 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 12.6 tp10 -103.76 106.02 50.61 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 62' ' ' GLU . 14.9 Cg_exo -68.34 120.6 7.55 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.239 2.626 . . . . 0.0 113.027 -174.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 68' ' ' LYS . 5.6 p -102.5 91.42 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.997 0.903 . . . . 0.0 109.735 176.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' C ' ' H ' ' A' ' 67' ' ' LYS . 21.1 mtm180 -112.09 92.6 4.09 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.781 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 72.13 -37.8 0.4 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.195 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 65' ' ' ARG . 71.7 mmtt -138.07 157.06 47.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HB2' HG23 ' A' ' 64' ' ' VAL . 4.8 ttpm? -129.61 143.17 50.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -132.42 147.33 52.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.706 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.8 p -122.75 -37.98 2.69 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.931 172.475 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.643 ' SD ' ' HB3' ' B' ' 63' ' ' LYS . 21.0 ptt? . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.683 0.754 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.454 ' HB2' ' OE1' ' B' ' 64' ' ' GLU . 20.7 mt-30 -107.06 120.47 42.18 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.407 -1.27 . . . . 0.0 111.299 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.667 ' HB ' HD13 ' B' ' 67' ' ' LEU . 43.2 pt -120.48 133.18 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 169.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 92.6 m-85 -90.87 102.29 15.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.025 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.6 t -83.01 105.8 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -102.34 110.35 22.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.913 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.655 HG22 HD23 ' B' ' 69' ' ' LEU . 47.0 p -82.71 174.28 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.15 0.5 . . . . 0.0 111.969 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.813 HD11 ' H ' ' B' ' 71' ' ' LEU . 30.8 mt -60.76 -34.37 74.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.694 174.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -84.75 -10.88 56.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.426 -169.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.73 9.01 31.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.758 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -84.04 107.04 16.16 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 10.8 m -106.63 92.54 4.15 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -104.53 129.63 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.576 -175.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -74.99 111.67 10.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.109 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 128.85 44.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -89.62 95.01 10.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.869 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' B' ' 1' ' ' MET . 9.9 m -128.11 152.99 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.764 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -97.57 167.09 11.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -67.92 -24.73 65.23 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.972 0.415 . . . . 0.0 111.442 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -89.21 0.52 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.038 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.69 142.12 38.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 34.2 p -86.34 152.68 22.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.426 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 49.5 mm -57.78 -38.25 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.767 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 1.3 p30 -60.45 -38.93 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.165 177.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.619 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 11.1 t-20 -70.03 -38.67 75.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.442 HG21 HD21 ' B' ' 56' ' ' LEU . 60.6 t -62.52 -41.61 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.404 176.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 98.8 mttt -57.49 -43.11 83.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 109.866 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t -66.41 -36.56 83.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.013 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 60.5 mttm -57.84 -43.32 85.79 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 109.994 176.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.92 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.561 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.46 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 9.2 tt0 -61.96 -39.35 91.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 176.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.646 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -74.38 -77.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.958 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.56 -6.62 25.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.528 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.68 43.75 7.15 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.393 175.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.5 mt -105.97 121.47 45.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.4 Cg_exo -56.65 128.91 31.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.18 2.586 . . . . 0.0 113.392 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.7 Cg_exo -61.3 -35.67 83.28 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.373 2.715 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.21 -19.27 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.679 HE22 HD13 ' B' ' 71' ' ' LEU . 0.4 OUTLIER -100.52 -7.78 23.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.617 -174.431 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.686 ' HB3' HD11 ' B' ' 69' ' ' LEU . 25.6 mt-30 -103.93 134.22 47.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.601 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -133.32 113.19 12.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.05 0.453 . . . . 0.0 109.907 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.9 mp -85.01 152.46 23.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.339 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 67.4 mt -137.26 127.35 38.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.747 0.308 . . . . 0.0 110.328 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -132.66 120.19 21.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.47 27.6 17.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.652 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.43 -17.98 57.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.279 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -91.51 127.56 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.568 ' NE2' ' HB2' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -77.39 143.18 38.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.194 0.521 . . . . 0.0 110.536 178.762 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 9.2 mt -111.32 112.57 24.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.614 -176.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -117.39 179.24 4.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.336 0.588 . . . . 0.0 111.859 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' B' ' 24' ' ' ASP . 6.8 m-20 -68.81 149.58 48.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.078 -173.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.74 -41.85 2.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.567 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' B' ' 59' ' ' TYR . 17.1 mmt180 -97.22 162.09 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.8 p -95.51 178.38 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.951 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.442 HD21 HG21 ' B' ' 26' ' ' VAL . 3.7 mm? -64.01 -34.55 78.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.359 0.6 . . . . 0.0 109.907 173.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 t -74.32 -31.15 62.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.132 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' B' ' 54' ' ' ARG . 13.3 t70 -65.35 -45.15 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.184 -177.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' B' ' 54' ' ' ARG . 48.9 m-85 -79.82 5.65 13.07 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 60.91 67.98 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.603 0.716 . . . . 0.0 110.358 -177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.0 mt -113.59 129.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.236 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -92.05 164.62 13.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.643 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 56.8 pttt -86.31 169.14 13.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.454 ' OE1' ' HB2' ' B' ' 2' ' ' GLN . 7.7 mm-40 62.18 20.33 11.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.309 0.575 . . . . 0.0 110.217 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -108.75 157.38 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.033 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 17.7 m -100.81 117.67 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 111.002 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.667 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.3 mp -99.54 138.74 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.388 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -96.58 121.49 38.47 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.177 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' B' ' 41' ' ' GLN . 46.7 tp -97.11 100.76 12.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.24 0.543 . . . . 0.0 110.588 -178.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.534 HG13 HD21 ' B' ' 8' ' ' LEU . 45.1 t -96.92 120.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.209 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.813 ' H ' HD11 ' B' ' 8' ' ' LEU . 74.4 mt -86.44 156.05 20.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.769 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.76 -8.26 54.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 93.0 mt 58.55 57.81 3.63 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -173.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 58.41 87.49 0.07 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.567 -171.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.12 81.13 0.29 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.959 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -178.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.34 78.47 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 173.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -81.92 107.68 14.82 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.702 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -97.35 34.48 1.78 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.235 -173.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p 48.05 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.002 0.814 . . . . 0.0 111.279 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' HD3' HD23 ' A' ' 34' ' ' LEU . 24.1 ttmm -59.18 123.95 18.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.846 -174.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 11.3 ptmt -40.64 119.53 1.12 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.326 175.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 81.1 mtp180 -105.54 155.32 19.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.293 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.85 168.83 28.06 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.924 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -130.31 131.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.707 HG21 HD12 ' A' ' 25' ' ' ILE . 5.3 p -83.9 134.15 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 110.821 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -99.35 -11.89 20.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.037 -174.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.36 171.59 11.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.015 0.436 . . . . 0.0 111.234 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.17 155.29 17.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.693 171.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -160.22 132.3 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.669 0.271 . . . . 0.0 110.887 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.401 ' HA ' HG23 ' A' ' 24' ' ' THR . 65.4 mtt -100.1 127.15 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.849 176.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -81.14 156.1 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.893 0.378 . . . . 0.0 111.283 -178.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -114.84 -46.37 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.266 0.555 . . . . 0.0 110.002 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -99.26 168.45 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.44 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.558 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.34 -34.86 79.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.45 0.643 . . . . 0.0 110.217 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 28.5 mt-10 -89.02 160.23 17.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.972 -171.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.491 HD21 ' HG ' ' A' ' 47' ' ' LEU . 60.9 tp -126.18 123.72 38.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.401 HG23 ' HA ' ' A' ' 16' ' ' MET . 93.6 m -71.65 119.83 16.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.505 177.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 11' ' ' VAL . 12.1 pt -123.58 153.73 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.984 -176.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -127.45 149.57 50.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.6 m -54.86 116.86 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.353 0.408 . . . . 0.0 110.391 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.49 -10.26 30.62 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.148 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 11' ' ' VAL . 11.8 m-20 -67.13 127.06 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.239 0.52 . . . . 0.0 110.366 176.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -79.35 127.06 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.619 HG12 HD23 ' A' ' 47' ' ' LEU . 17.0 m -128.51 150.78 34.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.393 0.616 . . . . 0.0 112.414 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.538 ' CE2' HG22 ' A' ' 48' ' ' VAL . 62.8 m-85 -96.34 131.27 43.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.097 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.575 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 55.6 mt -91.32 110.09 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 43.5 mt -80.02 -74.73 0.29 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.635 ' H ' ' HB2' ' A' ' 44' ' ' MET . 1.7 m-20 -121.58 136.34 54.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.313 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -128.53 -62.85 1.01 Allowed 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -53.65 -26.61 23.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -71.36 -19.46 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.3 m -127.94 157.72 39.8 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -126.31 2.64 7.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.682 0.753 . . . . 0.0 109.863 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -124.89 -51.67 1.68 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.192 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.603 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 71.5 m95 -122.8 118.26 27.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.003 0.43 . . . . 0.0 110.803 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -101.99 157.12 17.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.635 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 76.3 mmm -87.19 112.3 21.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.675 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 92.8 m -129.85 149.65 51.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.749 0.309 . . . . 0.0 110.997 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -122.81 124.91 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.203 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 31' ' ' VAL . 96.2 mt -67.27 122.11 17.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.337 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.538 HG22 ' CE2' ' A' ' 32' ' ' TYR . 38.5 t -66.86 -25.66 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.636 0.731 . . . . 0.0 110.204 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.66 -11.84 44.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.797 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 22.8 t -126.92 -35.85 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.904 -174.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.16 -6.43 75.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.009 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -82.46 137.06 34.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 p -115.34 156.51 25.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.63 -175.45 47.27 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.961 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.603 ' HB3' ' HB3' ' A' ' 42' ' ' TRP . 3.9 mm? -87.32 124.32 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.411 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.88 153.94 70.85 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.042 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 115.32 2.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.515 2.144 . . . . 0.0 112.067 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.925 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' B' ' 8' ' ' LEU . 8.6 tt0 -70.14 -12.17 61.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.343 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -94.5 -8.38 38.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.591 0.234 . . . . 0.0 111.175 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.28 137.2 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.998 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -116.96 108.17 44.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.04 115.44 4.27 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.917 2.411 . . . . 0.0 112.137 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -97.68 -9.28 9.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.574 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -64.31 -16.82 62.91 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.407 -175.349 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 12.1 t70 -166.11 -12.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.342 . . . . 0.0 110.332 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' H ' ' H ' ' A' ' 66' ' ' ASP . 28.3 mtpp 76.65 161.19 0.22 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.021 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -80.73 151.84 28.66 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -127.39 -90.0 0.53 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.344 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.7 m -108.37 91.05 3.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.046 -175.372 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.611 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 21.1 ptt? . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.021 0.439 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -124.43 130.7 52.96 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -119.97 154.66 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.342 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -99.14 107.73 20.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.709 0.29 . . . . 0.0 110.245 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -91.77 96.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.957 0.408 . . . . 0.0 109.933 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.17 108.16 18.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.842 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.409 HG22 HD23 ' B' ' 69' ' ' LEU . 72.0 p -76.32 173.12 11.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.354 -177.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' B' ' 70' ' ' VAL . 24.1 mt -61.25 -32.34 72.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 178.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.9 p -84.71 1.78 44.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.359 -172.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 26.24 33.49 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.909 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -104.15 119.89 39.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -91.74 95.28 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.897 0.38 . . . . 0.0 110.642 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.78 116.66 30.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -78.01 116.42 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.466 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 15' ' ' LEU . 1.4 mm? -108.45 116.52 32.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 1' ' ' MET . 23.6 tt0 -86.39 98.21 10.87 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.253 0.549 . . . . 0.0 109.69 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.46 161.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.651 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -104.32 170.22 8.02 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.964 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -69.85 -25.96 63.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.482 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -80.82 -1.43 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.07 163.7 15.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 39.4 p -106.33 152.32 23.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.64 0.257 . . . . 0.0 110.905 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.662 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.8 mm -58.28 -38.18 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.042 0.449 . . . . 0.0 110.971 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.876 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 1.1 p-10 -62.5 -38.42 89.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.2 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.45 -37.41 65.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.96 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 30' ' ' ILE . 82.7 t -61.25 -42.08 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.512 ' HE2' ' HG3' ' B' ' 41' ' ' GLN . 84.7 mttt -53.84 -40.46 66.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 110.597 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -66.93 -38.99 87.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.517 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -73.52 -18.53 61.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 26' ' ' VAL . 77.5 mt -81.36 -41.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.98 -33.19 74.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.777 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.35 -33.99 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.758 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -107.88 -57.37 2.11 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.466 ' OE1' ' HA ' ' B' ' 34' ' ' GLU . 9.8 tp10 -86.5 -34.14 20.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.262 -175.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.5 18.17 29.01 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.902 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 79.0 mt -82.63 114.75 54.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.469 0.175 . . . . 0.0 110.729 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 10.1 Cg_endo -55.49 137.87 78.85 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.729 2.286 . . . . 0.0 111.897 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.6 Cg_exo -61.55 -26.61 80.88 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.949 2.433 . . . . 0.0 113.154 -175.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -86.23 -0.86 56.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.902 0.382 . . . . 0.0 111.264 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' B' ' 40' ' ' GLN . 5.8 tt0 -114.85 8.84 16.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.496 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.635 ' HB2' HD11 ' B' ' 69' ' ' LEU . 9.9 pt20 -133.24 150.08 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.444 -0.503 . . . . 0.0 112.148 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -135.69 136.48 40.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.349 171.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 6.6 mp -91.97 128.51 37.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -122.45 114.61 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.762 0.315 . . . . 0.0 110.497 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' B' ' 65' ' ' SER . 39.8 t80 -110.85 110.19 20.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 18.47 5.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.918 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.84 -8.69 43.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.023 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.38 127.36 32.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.251 0.548 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.427 ' HG2' ' HG2' ' B' ' 51' ' ' GLU . 18.8 tt0 -69.96 113.35 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.385 176.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 43.5 mt -107.02 94.23 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.427 ' HG2' ' HG2' ' B' ' 49' ' ' GLN . 6.1 mm-40 -92.59 153.26 19.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.296 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.876 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 1.8 p-10 -71.54 165.82 23.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.157 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.24 -27.62 12.33 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -123.36 168.92 11.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 111.457 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 55.5 p -85.09 166.06 16.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.126 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mp -69.9 -27.34 64.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 175.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -60.27 -40.48 90.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.24 -41.82 93.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -79.77 -1.36 38.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 61.09 39.91 15.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.291 0.567 . . . . 0.0 111.399 177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.59 125.48 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -105.53 174.03 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.611 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 10.9 ptmm? -72.54 156.11 39.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.993 0.425 . . . . 0.0 111.632 -177.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 64.93 22.16 12.43 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.059 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.5 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 12.3 p -82.89 144.17 30.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.797 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.2 m -97.14 102.09 13.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.22 0.533 . . . . 0.0 110.838 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' B' ' 45' ' ' PHE . 6.8 mp -92.9 141.87 27.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.434 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -104.97 119.99 40.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' B' ' 41' ' ' GLN . 31.5 tp -90.54 104.05 16.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.126 0.489 . . . . 0.0 110.414 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.576 ' HA ' HD21 ' B' ' 8' ' ' LEU . 58.2 t -106.41 128.23 61.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.842 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.561 ' H ' HD11 ' B' ' 8' ' ' LEU . 21.4 mt -73.16 160.02 32.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.297 -176.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -97.32 -2.29 42.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.22 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 18.2 tp 57.87 22.01 8.2 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.319 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -121.39 98.45 5.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.069 0.461 . . . . 0.0 110.847 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.03 39.49 0.68 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.848 0 CA-C-O 118.94 -0.922 . . . . 0.0 111.382 -176.273 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.09 24.23 14.35 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.319 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 68.83 108.87 0.05 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.813 0.695 . . . . 0.0 110.895 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt 70.67 108.34 0.06 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.277 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m -127.27 119.26 25.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.874 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -79.41 150.79 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -81.51 142.79 32.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.265 0.555 . . . . 0.0 111.404 -171.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -97.18 137.01 36.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.823 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 63' ' ' PRO . . . -138.79 143.95 14.82 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.53 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.748 HG13 ' HG2' ' A' ' 30' ' ' LYS . 1.7 mp -108.2 110.18 31.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 173.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.628 HG21 HD12 ' A' ' 25' ' ' ILE . 2.8 p -67.4 135.93 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.069 0.462 . . . . 0.0 111.199 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.518 ' HG2' ' HB2' ' A' ' 62' ' ' GLU . 31.9 mm-40 -100.83 -12.87 18.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.041 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -121.63 145.4 48.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.855 0.359 . . . . 0.0 111.213 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.72 116.99 21.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.692 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HB3' HG12 ' A' ' 25' ' ' ILE . 41.3 t80 -112.0 121.27 44.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -102.1 100.49 10.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.408 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 125.8 25.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.593 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -102.06 -29.63 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.405 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 m -96.17 148.46 22.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.001 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.22 -12.63 60.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.099 0.476 . . . . 0.0 110.243 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.04 -33.43 74.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.752 172.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 19' ' ' SER . 39.7 mt-10 -85.98 173.7 9.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.307 -174.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 52' ' ' LYS . 24.7 tp -129.85 123.71 31.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.816 0.341 . . . . 0.0 111.222 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 14.5 m -79.05 105.45 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.628 HD12 HG21 ' A' ' 11' ' ' VAL . 16.7 pt -123.16 155.32 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.269 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -106.34 152.89 22.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.205 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.6 t -64.64 114.98 4.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.22 7.43 26.66 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.42 -176.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' HG12 ' A' ' 11' ' ' VAL . 63.2 m-20 -86.37 130.84 34.37 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.561 -0.376 . . . . 0.0 110.017 173.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.748 ' HG2' HG13 ' A' ' 10' ' ' ILE . 49.0 mtmt -85.91 126.98 34.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.999 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.915 HG12 HD22 ' A' ' 47' ' ' LEU . 33.5 m -128.07 146.08 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.04 0.448 . . . . 0.0 111.738 -174.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -92.65 121.95 34.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.455 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.9 mt -79.99 112.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -92.52 -76.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.35 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.656 ' HB2' ' HG3' ' A' ' 44' ' ' MET . 3.7 m-20 -82.04 101.98 10.69 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 3.1 p30 -116.02 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.59 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -68.61 -29.6 68.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.134 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -72.29 -23.78 61.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.868 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.536 ' HB3' ' O ' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -150.7 114.84 5.07 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -73.06 -22.17 60.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.387 0.613 . . . . 0.0 110.636 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.603 ' HA ' HD21 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -88.12 -56.43 3.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.969 -175.772 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 39' ' ' SER . 50.3 m95 -117.62 125.59 51.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.607 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.412 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 43.0 m0 -105.01 146.37 29.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.656 ' HG3' ' HB2' ' A' ' 35' ' ' ASP . 4.4 mtm -91.36 105.24 17.63 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.649 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 74.6 m -102.83 141.52 35.5 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.311 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.553 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 36.9 tt0 -115.52 119.5 36.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.558 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.915 HD22 HG12 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.41 123.66 17.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.958 -175.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.75 -41.55 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.237 0.541 . . . . 0.0 111.245 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.42 -38.16 17.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.14 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.8 m -93.8 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.99 5.97 65.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.47 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.874 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 76.5 mttt -70.73 126.74 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 85.1 p -125.04 125.14 43.37 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.496 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.69 -178.47 39.26 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.702 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' A' ' 42' ' ' TRP . 4.4 mm? -84.28 126.02 32.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.94 0.4 . . . . 0.0 111.36 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 25' ' ' ILE . 31.6 m -136.34 151.18 72.73 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.804 174.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.71 133.04 37.54 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.514 2.143 . . . . 0.0 112.056 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.82 70.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.951 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.402 HE21 HG22 ' B' ' 70' ' ' VAL . 16.8 pt20 -78.71 9.96 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.098 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.404 ' HZ ' ' HB ' ' B' ' 44' ' ' ILE . 3.4 m-30 -105.9 -15.88 14.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 0.0 110.116 176.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.568 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 49.8 mm -95.98 133.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.825 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HB2' ' HG2' ' A' ' 12' ' ' GLN . 1.4 tp10 -104.91 90.48 3.6 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 171.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.64 ' HD2' ' HE2' ' A' ' 68' ' ' LYS . 18.5 Cg_exo -66.71 137.87 47.24 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.434 2.09 . . . . 0.0 111.767 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m -94.35 106.69 18.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.719 0.771 . . . . 0.0 110.702 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 68.4 mtp180 -123.44 6.03 8.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.765 176.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 25.9 t70 67.47 100.22 0.05 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.07 -173.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 68.13 77.0 0.25 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.188 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.64 ' HE2' ' HD2' ' A' ' 63' ' ' PRO . 27.4 ttpp -84.28 103.3 13.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.154 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -98.82 132.98 43.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.538 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 t -158.88 -167.49 2.13 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -175.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.412 176.401 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.482 ' CB ' ' HB3' ' B' ' 63' ' ' LYS . 14.2 ptt? . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -89.52 126.33 35.55 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.419 ' HB ' HD13 ' B' ' 67' ' ' LEU . 40.2 pt -116.12 135.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.08 93.85 5.69 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.821 HG13 ' HB ' ' B' ' 13' ' ' ILE . 2.8 p -93.47 110.91 23.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.435 0.636 . . . . 0.0 110.378 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.6 123.26 31.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.495 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.567 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 52.0 p -74.68 175.22 8.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.704 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.603 HD21 ' HA ' ' A' ' 41' ' ' ASP . 4.8 tt -64.43 -20.71 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.472 . . . . 0.0 110.536 -178.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.9 p -85.32 -8.59 58.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.441 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 11.8 58.32 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.236 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -84.8 130.21 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 0.0 110.592 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.1 m -85.1 112.13 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.821 ' HB ' HG13 ' B' ' 5' ' ' VAL . 48.3 mm -99.97 104.85 16.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.792 174.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 27.0 m -79.35 111.52 15.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' B' ' 15' ' ' LEU . 13.3 tp -120.4 120.95 37.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.816 0.341 . . . . 0.0 111.124 -174.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -87.09 102.44 14.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.96 160.82 23.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -174.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.611 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 43.3 mt-10 -82.39 147.2 28.93 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -67.81 -23.74 65.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -102.82 13.12 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.611 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 21.0 t0 -78.14 147.81 34.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.755 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 68.8 p -78.65 150.36 32.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 40.3 mm -58.86 -33.82 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.234 0.54 . . . . 0.0 109.548 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.78 -42.69 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.868 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.9 t30 -73.29 -31.61 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.36 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 22' ' ' THR . 86.7 t -66.11 -43.38 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 172.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 92.6 mttt -55.93 -43.84 77.79 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 173.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -69.59 -27.89 65.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.105 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.9 mttp -67.45 -41.06 85.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.074 0.464 . . . . 0.0 110.129 173.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.14 -37.87 77.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.097 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.574 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 11.8 tt0 -68.59 -35.1 76.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.07 0.462 . . . . 0.0 110.397 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.01 -37.39 85.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -83.37 -61.22 1.9 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.81 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -98.54 -30.07 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 49.72 2.5 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.564 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.574 ' H ' ' HA ' ' B' ' 31' ' ' GLN . 59.2 mt -108.32 126.72 28.97 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.4 Cg_exo -59.35 131.44 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.904 2.402 . . . . 0.0 112.576 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.5 Cg_exo -61.58 -31.05 86.89 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.165 2.577 . . . . 0.0 112.727 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.45 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 3.6 m-20 -63.84 -34.57 78.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.449 0.642 . . . . 0.0 110.191 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 16.5 tt0 -85.93 -4.19 59.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.631 -174.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.448 ' HG2' HD11 ' B' ' 69' ' ' LEU . 45.0 mt-30 -102.04 116.63 33.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -120.75 115.95 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 166.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 3.3 mm? -92.23 134.88 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.858 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.421 ' N ' HD12 ' B' ' 44' ' ' ILE . 3.9 mp -114.84 125.13 72.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.909 0.385 . . . . 0.0 110.039 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' B' ' 65' ' ' SER . 52.3 t80 -125.23 102.36 7.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.319 176.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.62 34.29 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.76 -8.61 58.15 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -89.88 111.56 22.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.09 112.63 17.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 21.1 mt -92.55 119.9 32.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.73 -172.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -117.5 162.51 17.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.222 0.534 . . . . 0.0 110.443 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.4 161.35 22.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.847 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.05 -37.27 3.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.676 -174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.531 ' HD2' ' OD2' ' B' ' 58' ' ' ASP . 14.5 mmt180 -102.08 171.48 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.765 0.317 . . . . 0.0 110.952 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.755 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 57.8 p -106.82 172.81 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.5 mt -68.38 -31.78 71.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.289 0.566 . . . . 0.0 110.039 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -69.16 -28.87 66.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.541 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.531 ' OD2' ' HD2' ' B' ' 54' ' ' ARG . 9.2 t70 -62.09 -46.76 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.423 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -85.03 0.14 52.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.169 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.8 m120 62.93 58.04 1.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.547 0.529 . . . . 0.0 110.805 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -95.89 129.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -92.83 -170.59 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.733 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.482 ' HB3' ' CB ' ' B' ' 1' ' ' MET . 18.0 pttm -93.81 154.2 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.28 12.36 8.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.824 0.703 . . . . 0.0 110.51 -175.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' B' ' 45' ' ' PHE . 75.8 m -68.83 139.57 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.127 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -97.26 113.44 25.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.494 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.419 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.3 mp -104.71 156.68 17.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.837 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -126.22 129.04 48.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.821 0.343 . . . . 0.0 110.54 174.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.567 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 53.4 tp -93.79 105.68 17.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.511 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.402 HG22 HE21 ' A' ' 59' ' ' GLN . 29.9 t -105.14 131.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 175.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.593 ' H ' HD12 ' B' ' 8' ' ' LEU . 18.9 mt -81.04 144.54 31.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.722 0.772 . . . . 0.0 112.542 -169.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 34.8 ttm180 -98.79 104.7 16.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.365 -1.289 . . . . 0.0 107.927 170.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt -55.05 100.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.591 0.557 . . . . 0.0 111.12 -176.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -153.78 162.59 41.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.601 -174.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.14 -86.9 1.49 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.076 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.516 -1.158 . . . . 0.0 111.973 -179.641 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.86 119.94 2.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.706 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -87.79 19.29 3.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.376 177.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.3 tptm 59.61 81.17 0.18 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.751 -172.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t -92.28 174.78 7.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.94 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -89.82 35.5 0.84 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.313 -174.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 94.9 mttt 64.39 133.28 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.145 0 O-C-N 123.892 0.745 . . . . 0.0 111.971 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -110.93 137.39 48.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.958 0.409 . . . . 0.0 110.543 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.63 152.43 21.63 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.904 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -110.95 111.52 36.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 60' ' ' PHE . 2.6 p -72.89 124.98 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 0.0 111.091 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -86.02 -43.4 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.967 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 77.2 m-85 -102.44 -177.46 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 -176.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -115.83 128.07 55.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.576 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 66.3 t80 -127.72 136.28 51.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.643 0.258 . . . . 0.0 110.675 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp -103.41 141.76 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.02 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.55 112.23 24.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.81 -32.77 12.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.201 0.524 . . . . 0.0 109.763 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -86.55 166.46 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.912 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.31 52.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.31 0.576 . . . . 0.0 109.783 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.51 -12.46 42.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.55 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -90.96 163.44 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.551 0.215 . . . . 0.0 110.54 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.683 ' HB2' ' HA3' ' A' ' 54' ' ' GLY . 54.8 tp -124.13 145.4 49.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 111.127 -177.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -92.0 116.94 29.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 15' ' ' PHE . 15.4 pt -122.47 145.22 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.781 0.324 . . . . 0.0 111.222 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -107.54 139.47 42.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.535 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 p -59.67 125.2 22.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.045 0.45 . . . . 0.0 111.426 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.98 1.49 63.08 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.671 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.402 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.4 t70 -81.82 152.57 26.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -88.96 120.62 30.54 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.738 HG21 HD12 ' A' ' 61' ' ' ILE . 34.1 m -125.21 149.66 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.992 0.425 . . . . 0.0 111.6 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 47.1 m-85 -89.84 151.43 21.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.236 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' ' 7' ' ' LYS . 56.4 mt -102.05 95.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.579 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 93.7 mt -63.8 -52.5 59.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.695 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.474 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 15.9 t70 -141.3 139.74 33.7 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.218 0.533 . . . . 0.0 111.384 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -134.04 24.23 3.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.84 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -126.69 -39.84 1.96 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HG2' ' CG ' ' A' ' 35' ' ' ASP . 69.8 mmtt -59.03 -40.92 86.49 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.434 0.635 . . . . 0.0 110.18 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 m -146.01 148.14 32.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.364 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -93.27 -25.12 17.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 0.0 110.147 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.901 ' HA ' HD13 ' B' ' 8' ' ' LEU . 5.2 m-20 -78.66 -36.91 43.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.72 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.471 ' HE3' ' HG ' ' A' ' 55' ' ' LEU . 70.3 m95 -124.17 126.43 46.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -112.97 158.6 20.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.309 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.579 ' HB2' ' HB2' ' A' ' 34' ' ' LEU . 33.9 mtp -101.97 125.35 48.63 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.52 ' SG ' HD23 ' A' ' 23' ' ' LEU . 27.9 p -123.41 158.08 31.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.801 0.334 . . . . 0.0 110.957 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 54.3 tt0 -133.19 123.72 26.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.618 HD23 HG12 ' A' ' 31' ' ' VAL . 96.9 mt -66.79 126.02 27.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.5 t -76.02 -23.38 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.516 0.674 . . . . 0.0 109.49 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.06 -57.96 3.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 t -85.68 -45.61 11.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.558 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.2 -16.79 32.27 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.18 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -70.73 155.33 40.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.74 0.305 . . . . 0.0 110.815 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.1 m -128.69 162.99 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 -175.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.683 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . 172.89 178.14 42.71 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.136 176.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HG ' ' HE3' ' A' ' 42' ' ' TRP . 25.5 tp -92.52 133.14 36.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.894 0.478 . . . . 0.0 110.639 -177.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG11 HD13 ' A' ' 25' ' ' ILE . 29.6 m -141.11 159.62 60.94 Favored Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.49 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HB3' HG21 ' B' ' 70' ' ' VAL . 24.3 Cg_exo -64.89 145.34 85.64 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.814 2.343 . . . . 0.0 112.196 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB3' HD11 ' B' ' 8' ' ' LEU . . . -62.66 -36.13 81.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.487 HE22 HG22 ' B' ' 70' ' ' VAL . 20.4 mp0 -62.66 -18.84 63.09 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.026 0.441 . . . . 0.0 111.112 -178.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 3.6 m-85 -79.83 -27.5 40.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.875 -176.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.738 HD12 HG21 ' A' ' 31' ' ' VAL . 45.0 mm -106.61 107.73 23.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.779 0.323 . . . . 0.0 111.02 -176.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -93.11 103.71 10.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 173.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.12 116.1 3.26 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.486 2.124 . . . . 0.0 112.346 -176.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.5 p -97.34 92.7 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 122.293 1.044 . . . . 0.0 110.083 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.563 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 12.2 ptm180 -164.0 -50.38 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.06 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.563 ' H ' ' HG3' ' A' ' 65' ' ' ARG . 5.9 m-20 -148.66 -172.73 4.16 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -79.62 123.87 28.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 171.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -64.76 118.38 8.88 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.36 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -86.11 33.21 0.61 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.662 -172.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -148.81 124.68 10.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.654 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--O 1.245 0.841 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.752 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.513 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 21.5 ptt? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.6 mt-30 -76.3 131.86 39.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 170.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.524 ' HB ' HD23 ' B' ' 67' ' ' LEU . 36.9 pt -121.11 145.84 27.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -95.42 95.48 8.47 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.1 t -79.6 93.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' B' ' 7' ' ' THR . 12.3 tmtt? -98.84 105.13 17.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.235 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.599 HG22 HD23 ' B' ' 69' ' ' LEU . 70.1 p -66.8 165.91 14.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.598 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 41' ' ' ASP . 8.4 tt -57.53 -53.25 60.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.2 p -68.91 -45.79 70.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.17 58.59 0.01 OUTLIER Glycine 0 C--O 1.228 -0.228 0 C-N-CA 119.19 -1.481 . . . . 0.0 114.47 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.4 mttp -121.75 114.78 21.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 169.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -96.8 93.43 6.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.126 0.488 . . . . 0.0 109.803 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.61 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 40.6 mt -94.21 107.58 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.783 -175.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -74.35 111.72 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -117.45 131.48 56.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.689 -176.251 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -89.56 106.71 18.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -134.86 155.37 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.386 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 43.0 mt-10 -93.95 172.14 8.42 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.4 -26.06 62.61 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -86.77 1.89 50.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.917 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -71.01 143.32 50.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.53 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 75.0 p -90.08 152.73 21.01 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.649 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 43.3 mm -60.16 -30.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -62.43 -48.03 81.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.939 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.14 -40.97 95.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.588 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 22' ' ' THR . 22.6 t -63.16 -41.57 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.125 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 90.3 mttt -57.73 -43.71 85.52 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -63.66 -39.53 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.761 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 96.9 mttt -64.51 -40.4 95.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.501 HD13 HG11 ' B' ' 5' ' ' VAL . 73.5 mt -71.81 -31.39 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.231 0.539 . . . . 0.0 110.281 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.495 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.8 tt0 -64.23 -31.74 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.05 175.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.67 -38.36 58.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 74.9 mmtt -68.05 -69.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.941 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -103.05 -12.3 17.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.608 -173.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.77 26.92 36.45 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.713 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.6 mt -87.62 126.99 60.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.661 -0.317 . . . . 0.0 110.195 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.0 Cg_exo -59.98 131.94 42.1 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.114 2.543 . . . . 0.0 112.687 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.466 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 32.9 Cg_exo -61.53 -34.82 84.62 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.349 2.699 . . . . 0.0 113.004 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 -31.48 68.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.229 0.537 . . . . 0.0 110.85 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.454 ' NE2' HD23 ' B' ' 71' ' ' LEU . 26.3 tt0 -79.57 -28.22 41.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -71.84 124.32 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -131.7 107.92 9.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.858 171.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.502 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 5.5 mp -88.46 145.19 25.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.32 -176.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.442 HG21 ' HZ ' ' A' ' 60' ' ' PHE . 74.1 mt -130.31 123.09 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.755 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -113.88 95.68 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.394 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.96 44.88 25.51 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.967 0.413 . . . . 0.0 112.071 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.24 -19.06 55.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.46 112.7 13.26 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.84 113.59 11.17 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.502 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 60.2 mt -94.02 90.79 6.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.451 . . . . 0.0 110.991 -176.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -84.17 149.57 26.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.721 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.649 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.5 p30 -69.65 168.82 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.47 -62.83 0.62 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.585 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -76.17 172.32 13.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.642 0.258 . . . . 0.0 110.805 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 68.8 p -97.01 171.0 8.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.532 HD11 HG21 ' B' ' 26' ' ' VAL . 7.5 mp -68.36 -26.15 65.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.096 0.474 . . . . 0.0 109.915 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -67.07 -35.92 80.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.209 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.56 -20.58 65.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.055 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -112.13 5.88 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.11 40.44 11.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.677 173.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -77.81 133.47 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -92.62 172.52 8.31 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.567 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.513 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 22.7 mmtm -71.9 144.57 48.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.201 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 36.4 mt-10 57.91 32.55 22.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.516 0.674 . . . . 0.0 111.129 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -81.96 159.95 23.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -104.6 111.01 23.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.289 0.566 . . . . 0.0 111.008 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.524 HD23 ' HB ' ' B' ' 3' ' ' ILE . 2.9 mm? -96.32 115.41 27.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.506 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 89.5 m-70 -82.1 111.6 18.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.599 HD23 HG22 ' B' ' 7' ' ' THR . 54.8 tp -89.03 112.24 23.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.487 HG22 HE22 ' A' ' 59' ' ' GLN . 44.8 t -104.34 133.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.391 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.454 HD23 ' NE2' ' B' ' 40' ' ' GLN . 7.5 mp -89.48 133.85 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.963 0.411 . . . . 0.0 111.066 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -75.2 -23.66 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.368 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.2 mt 61.54 31.44 18.88 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.328 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 71.45 -69.18 0.19 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.733 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.5 -56.63 5.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.798 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.911 -0.939 . . . . 0.0 111.195 177.74 . . . . . . . . 0 0 . 1 stop_ save_