data_2n0m_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 2n0m _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 6' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 76.5 m . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.382 0.61 . . . . 0.76000000000000001 110.06 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.05 155.87 40.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.5 -0.773 . . . . 1.0700000000000001 110.435 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.84 156.43 45.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.903 -0.589 . . . . 1.0800000000000001 110.028 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m -126.46 123.58 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.004 0.43 . . . . 1.45 110.724 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.03 135.61 49.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.8 -0.636 . . . . 1.54 109.901 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -110.3 126.82 54.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.429 -0.35 . . . . 1.98 110.447 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 36.1 p -123.1 139.14 54.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 1.1799999999999999 109.935 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -123.41 177.85 5.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.185 -0.302 . . . . 1.79 110.185 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.02 27.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.285 0.564 . . . . 2.2599999999999998 110.838 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -106.42 9.47 31.73 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.409 -0.96 . . . . 2.0899999999999999 108.409 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.8 mpp? 64.7 64.39 0.67 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.157 -1.383 . . . . 2.5299999999999998 111.863 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -159.97 155.51 25.59 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.042 0.448 . . . . 2.3100000000000001 111.725 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 29.2 m-85 -108.45 151.87 25.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.211 -0.904 . . . . 0.45000000000000001 108.665 169.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -81.58 2.97 26.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.782 0.325 . . . . 2.3100000000000001 111.286 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -157.23 142.79 17.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.939 -0.393 . . . . 1.27 109.939 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -114.49 4.81 15.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.462 0.649 . . . . 2.8500000000000001 109.546 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -138.22 125.11 21.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.386 -0.825 . . . . 2.0600000000000001 110.425 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 87.2 mt -125.6 120.96 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.216 0.531 . . . . 1.1100000000000001 109.783 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.45 114.41 28.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.754 -0.657 . . . . 2.04 110.356 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.82 125.13 46.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.441 -0.8 . . . . 1.1000000000000001 110.226 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -81.31 128.63 34.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.758 -0.656 . . . . 1.73 110.805 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -75.97 -1.81 27.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 1.5600000000000001 110.539 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.27 -5.71 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 1.1699999999999999 110.266 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 60.4 m -104.11 139.74 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.588 -0.733 . . . . 0.48999999999999999 110.161 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -69.85 -46.15 66.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.507 -0.553 . . . . 3.98 109.507 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.47 149.9 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.371 -0.831 . . . . 2.0 109.122 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -120.68 128.19 52.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.965 -0.383 . . . . 0.39000000000000001 109.965 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 38.2 m -103.26 133.0 49.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.267 -0.424 . . . . 1.04 110.746 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -121.17 120.67 62.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 109.869 -0.419 . . . . 1.03 109.869 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -106.61 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.012 -0.54 . . . . 1.02 110.313 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -103.76 128.77 51.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.215 -0.448 . . . . 1.05 109.83 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -121.78 115.37 22.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.8 -0.444 . . . . 3.0699999999999998 109.8 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.3 t60 -88.03 92.29 9.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.224 0.535 . . . . 0.40999999999999998 109.893 -178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.4 p -85.06 77.18 10.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 2.0899999999999999 110.864 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.26 -162.58 10.96 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.614 -0.721 . . . . 1.26 111.697 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -127.01 1.67 6.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 2.2000000000000002 111.366 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -95.9 134.65 23.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.967 0.413 . . . . 2.8100000000000001 111.545 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.95 159.17 51.03 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.328 2.686 . . . . 0.57999999999999996 111.996 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -61.89 -24.55 67.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.367 -0.833 . . . . 2.4900000000000002 112.867 -169.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.68 43.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.845 0.355 . . . . 1.27 111.598 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -102.56 -45.04 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 1.8600000000000001 110.038 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.5 tpp -144.93 73.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 1.3200000000000001 109.436 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.66 150.33 19.82 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.357 -0.838 . . . . 0.14999999999999999 111.784 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.461 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 81.3 m-70 -132.71 149.03 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.816 -0.354 . . . . 0.16 110.606 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -141.54 166.48 24.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.969 -0.752 . . . . 1.48 108.969 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -126.48 110.61 13.48 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.382 -0.599 . . . . 1.05 109.382 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 64.5 t -111.87 130.05 66.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.454 -0.794 . . . . 2.1299999999999999 110.478 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -109.57 122.21 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 1.3100000000000001 110.105 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.5 ' CB ' HG21 ' A' ' 62' ' ' VAL . . . -147.26 165.57 29.69 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.723 -0.671 . . . . 1.0900000000000001 110.974 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -69.29 126.15 28.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.256 -0.884 . . . . 2.0499999999999998 109.279 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.9 -36.48 70.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.523 -0.762 . . . . 1.25 112.267 -171.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.98 -25.01 68.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 2.8900000000000001 110.911 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.34 4.75 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 2.1499999999999999 110.864 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.468 ' SD ' ' HB1' ' A' ' 54' ' ' ALA . 8.4 tpt -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 1.1599999999999999 111.152 -172.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.16 -44.66 96.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 2.27 110.927 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.2 -28.09 73.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.859 -0.686 . . . . 0.70999999999999996 111.627 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 HG21 ' CB ' ' A' ' 54' ' ' ALA . 75.7 t -67.99 -49.91 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.256 . . . . 1.23 110.659 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.475 ' O ' HG21 ' A' ' 67' ' ' VAL . 57.0 m-85 -61.89 -43.06 99.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 0.60999999999999999 110.555 176.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.95 -48.03 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.76 -0.654 . . . . 3.5699999999999998 110.833 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.03 -24.96 60.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 2.2799999999999998 110.437 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.36 90.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.987 -0.625 . . . . 0.54000000000000004 112.205 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 63' ' ' PHE . 76.5 t -63.54 -33.9 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.046 0.451 . . . . 1.6299999999999999 110.809 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.97 -12.77 83.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.803 -0.713 . . . . 0.62 112.39 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.437 ' HB2' ' OG1' ' A' ' 72' ' ' THR . . . -106.85 47.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 1.0 110.617 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.12 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.658 . . . . 1.29 111.643 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -70.42 -22.2 62.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 2.4399999999999999 111.462 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.437 ' OG1' ' HB2' ' A' ' 69' ' ' ALA . 21.7 p -111.82 49.18 0.91 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.73 0.3 . . . . 2.0600000000000001 111.395 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.93 26.9 16.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.914 -0.585 . . . . 1.6599999999999999 111.835 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 62.45 25.93 15.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.602 -0.726 . . . . 1.2 111.67 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 108.996 -0.742 . . . . 2.0299999999999998 108.996 172.403 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 108.502 -0.925 . . . . 2.7599999999999998 108.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.8 132.68 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.456 -1.247 . . . . 1.45 109.523 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 81.9 t -88.44 -40.28 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.478 -0.328 . . . . 1.51 110.52 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.6 153.41 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.188 -0.46 . . . . 1.1499999999999999 110.74 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -154.92 138.07 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.323 -0.399 . . . . 2.5299999999999998 111.098 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.1 p -92.72 178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.412 -0.588 . . . . 0.94999999999999996 109.412 173.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -97.18 173.79 7.06 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.537 -0.542 . . . . 3.3199999999999998 109.537 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -77.37 127.04 31.88 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.342 -0.614 . . . . 1.8999999999999999 109.342 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.15 139.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.037 0.446 . . . . 1.1000000000000001 111.455 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.11 -168.87 39.25 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.79000000000000004 112.198 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.99 103.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.236 -0.506 . . . . 1.1499999999999999 112.856 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.98 -23.1 10.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.001 -0.619 . . . . 0.80000000000000004 111.95 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -82.09 166.09 20.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.971 0.415 . . . . 2.3399999999999999 110.708 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.93 154.95 43.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 1.8600000000000001 110.339 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -144.27 159.65 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.913 -0.773 . . . . 1.8600000000000001 108.913 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.0 p -143.75 160.5 40.62 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.796 0.331 . . . . 1.1899999999999999 110.941 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 97' ' ' LEU . 4.1 pp -142.47 161.4 38.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 1.1299999999999999 110.235 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.32 126.45 35.35 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.962 -0.563 . . . . 1.78 110.052 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.403 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 3.6 pp -126.07 156.46 39.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.939 0.399 . . . . 1.1599999999999999 111.108 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.24 108.86 29.39 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.337 -0.847 . . . . 2.0800000000000001 109.999 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 99' ' ' LEU . 45.4 Cg_exo -54.45 -35.0 83.78 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.298 2.665 . . . . 0.87 113.19 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.12 -11.27 60.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.813 0.34 . . . . 1.23 111.481 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -89.89 -7.3 54.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.311 0.577 . . . . 3.5099999999999998 110.279 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 58.9 mt -88.28 4.72 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 1.9199999999999999 110.847 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.53 2.96 42.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.295 -0.411 . . . . 1.3999999999999999 111.405 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.5 -22.15 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.453 -0.339 . . . . 2.04 111.74 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 159.63 -140.9 7.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.055 -1.069 . . . . 0.93999999999999995 112.779 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -91.96 122.78 34.8 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.02 110.439 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.036 -0.529 . . . . 0.87 111.146 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -130.22 153.69 48.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.059 -0.519 . . . . 2.1099999999999999 110.259 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 43.5 p90 -115.75 144.04 44.53 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.233 -1.025 . . . . 0.27000000000000002 108.233 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.82 163.28 29.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.08 0.467 . . . . 0.96999999999999997 111.827 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 27.7 t -93.5 120.21 33.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.863 -1.062 . . . . 0.17999999999999999 108.652 173.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.7 p -89.2 17.84 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 1.1000000000000001 111.72 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -75.29 123.5 88.74 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.751 -0.833 . . . . 0.32000000000000001 108.751 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.28 116.78 3.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.748 2.299 . . . . 0.55000000000000004 112.46 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.4 -11.95 51.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.085 -0.579 . . . . 0.5 112.199 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -98.95 -39.12 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.67 0.248 . . . . 0.38 111.67 -178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.63 -23.96 59.15 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.399 0.52 . . . . 0.60999999999999999 114.399 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.14 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.991 0.396 . . . . 1.5800000000000001 111.51 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -121.03 -36.59 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 2.6200000000000001 110.436 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.44 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 30.9 mtt -86.82 72.52 10.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 1.27 110.848 -174.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -154.03 155.57 35.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 1.1299999999999999 109.65 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -151.78 -150.88 5.46 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.346 -0.93 . . . . 0.31 112.432 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -118.73 134.85 54.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.308 -0.256 . . . . 2.0499999999999998 110.308 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -127.28 120.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.45 0.643 . . . . 1.77 109.304 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -125.44 141.0 52.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.705 -0.68 . . . . 1.6799999999999999 111.577 -169.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.86 123.96 29.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.508 -0.553 . . . . 2.0099999999999998 109.508 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.09 162.51 29.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.251 0.548 . . . . 1.1899999999999999 111.335 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.343 -0.844 . . . . 2.25 109.78 177.87 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 85.1 m . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.358 0.599 . . . . 0.76000000000000001 109.97 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.34 158.95 44.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.583 -0.735 . . . . 1.0700000000000001 110.199 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.49 142.8 26.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.088 -0.506 . . . . 1.0800000000000001 110.378 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t -112.85 126.22 55.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.195 0.522 . . . . 1.45 110.01 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.24 121.79 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.629 -0.714 . . . . 1.54 109.946 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -90.31 143.23 26.95 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.539 -0.541 . . . . 1.98 109.539 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 p -128.62 135.86 49.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.408 -0.59 . . . . 1.1799999999999999 109.408 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -124.27 -166.21 1.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.912 0.387 . . . . 1.79 111.685 -171.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.53 -21.89 55.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 2.2599999999999998 111.472 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.39 15.48 0.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.576 0.584 . . . . 2.0899999999999999 112.576 -171.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.419 ' CA ' ' HE3' ' A' ' 122' ' ' MET . 65.9 mtt 58.31 51.45 8.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.238 -0.437 . . . . 2.5299999999999998 111.158 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -148.26 152.77 37.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.364 0.602 . . . . 2.3100000000000001 111.96 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -93.18 151.82 19.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.766 -1.106 . . . . 0.45000000000000001 108.17 164.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 7.59 14.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.762 0.315 . . . . 2.3100000000000001 110.756 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 p -138.51 134.0 33.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.059 -0.518 . . . . 1.27 111.317 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -105.88 -11.78 16.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 2.8500000000000001 109.872 169.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -141.05 139.23 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.855 . . . . 2.0600000000000001 109.572 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.1 mt -122.56 127.15 74.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.451 -0.574 . . . . 1.1100000000000001 109.451 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -97.79 106.03 18.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.144 0.497 . . . . 2.04 110.975 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.1 t -96.8 119.01 44.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.568 -0.742 . . . . 1.1000000000000001 109.883 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -79.81 125.92 30.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.254 -0.43 . . . . 1.73 110.743 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -79.93 1.79 25.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 1.5600000000000001 110.556 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.16 -6.63 59.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 1.1699999999999999 110.143 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.6 m -104.74 154.36 20.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.593 -0.73 . . . . 0.48999999999999999 109.781 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -89.34 -31.45 17.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.092 0.472 . . . . 3.98 110.11 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.03 131.26 34.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.939 -0.573 . . . . 2.0 109.82 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -111.77 127.67 55.87 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.239 -0.652 . . . . 0.39000000000000001 109.239 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 26.3 m -106.9 124.52 49.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.39 -0.368 . . . . 1.04 111.143 -175.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 96' ' ' SER . 67.6 mt -111.91 122.08 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.45 -0.341 . . . . 1.03 110.103 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 m -108.58 127.53 54.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.051 -0.522 . . . . 1.02 110.391 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.9 tp -103.3 128.96 50.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.149 -0.478 . . . . 1.05 109.889 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -117.81 108.26 15.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.37 -0.377 . . . . 3.0699999999999998 110.211 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.75 92.48 5.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.40999999999999998 109.886 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.2 p -74.89 -36.29 62.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.501 -0.772 . . . . 2.0899999999999999 111.967 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.3 127.2 38.72 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.84 -0.618 . . . . 1.26 112.799 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 p -75.08 59.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.143 0.497 . . . . 2.2000000000000002 111.698 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.465 ' HB3' ' HB3' ' A' ' 47' ' ' MET . 19.6 mm-40 -121.95 132.07 24.31 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.916 -0.584 . . . . 2.8100000000000001 110.241 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.69 145.66 91.47 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.699 2.266 . . . . 0.57999999999999996 111.68 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -67.77 -19.47 65.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.989 -0.55 . . . . 2.4900000000000002 112.048 -171.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.31 59.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 1.27 111.049 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -112.57 -51.77 2.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.314 -0.403 . . . . 1.8600000000000001 110.813 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 45.0 tpp -134.18 64.92 1.59 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.298 0.571 . . . . 1.3200000000000001 109.768 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.8 152.99 22.79 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 110.65 -0.98 . . . . 0.14999999999999999 110.65 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.466 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 83.7 m-70 -133.2 146.61 51.66 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.59 -0.444 . . . . 0.16 110.387 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.1 p-10 -144.53 152.88 41.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.111 -0.7 . . . . 1.48 109.111 173.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 tt -115.57 112.06 21.62 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.564 -0.532 . . . . 1.05 109.564 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 5.9 m -111.46 146.29 16.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.604 -0.726 . . . . 2.1299999999999999 110.307 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.3 mt -119.59 116.69 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.588 -0.523 . . . . 1.3100000000000001 109.588 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -140.92 167.79 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.462 -0.79 . . . . 1.0900000000000001 110.592 -174.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -74.54 131.75 41.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.711 -0.677 . . . . 2.0499999999999998 110.098 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.92 61.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.749 . . . . 1.25 112.123 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -26.81 64.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 2.8900000000000001 111.521 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 62' ' ' VAL . 1.3 m-20 -119.45 17.91 12.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.51 -0.314 . . . . 2.1499999999999999 110.739 -175.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.454 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 9.0 tpt -66.17 -41.25 90.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 1.1599999999999999 111.435 -172.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.53 -36.67 84.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 2.27 110.468 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.19 77.17 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.62 -0.718 . . . . 0.70999999999999996 111.868 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 58' ' ' ASP . 96.7 t -64.32 -43.97 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.828 0.347 . . . . 1.23 110.524 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -69.75 -35.95 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.60999999999999999 110.292 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.16 -47.0 78.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 3.5699999999999998 110.774 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.19 -17.85 56.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 2.2799999999999998 111.076 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.62 -33.98 67.19 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.108 -0.568 . . . . 0.54000000000000004 112.658 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.96 -32.26 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.108 0.48 . . . . 1.6299999999999999 110.884 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -88.08 10.44 70.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 0.62 112.726 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -123.51 39.01 4.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 1.0 110.835 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 1.29 111.852 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -77.81 -20.42 53.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.286 -0.415 . . . . 2.4399999999999999 111.577 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 m -94.87 -76.3 0.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.95 -0.3 . . . . 2.0600000000000001 110.79 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -168.18 26.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.129 0.49 . . . . 1.6599999999999999 109.984 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 62.95 26.91 15.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.296 -0.865 . . . . 1.2 110.934 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.133 -0.939 . . . . 2.0299999999999998 108.624 171.195 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.349 0.595 . . . . 2.7599999999999998 110.047 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.53 129.97 44.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.335 -0.848 . . . . 1.45 110.287 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.38 -43.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.912 -0.585 . . . . 1.51 110.191 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.03 149.26 31.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.875 -0.602 . . . . 1.1499999999999999 110.168 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -157.57 137.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.755 0.312 . . . . 2.5299999999999998 110.985 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.5 p -83.89 158.94 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.794 -0.639 . . . . 0.94999999999999996 109.911 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -66.08 149.5 50.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.099 -0.334 . . . . 3.3199999999999998 110.099 174.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.62 103.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.9 -0.778 . . . . 1.8999999999999999 108.9 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.9 pt -101.73 145.98 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.328 0.585 . . . . 1.1000000000000001 112.152 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.2 -157.59 31.65 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.054 -0.975 . . . . 0.79000000000000004 111.942 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.22 125.02 8.59 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.028 -0.606 . . . . 1.1499999999999999 113.02 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.18 0.45 77.16 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.031 -0.604 . . . . 0.80000000000000004 112.492 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.9 167.19 10.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.696 0.284 . . . . 2.3399999999999999 110.424 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -149.32 157.56 43.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.078 -0.51 . . . . 1.8600000000000001 110.567 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.5 t -151.88 159.59 43.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.494 -0.558 . . . . 1.8600000000000001 109.494 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 36.2 m -137.71 155.59 48.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.677 0.275 . . . . 1.1899999999999999 111.121 -177.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 97' ' ' LEU . 4.4 pp -134.15 159.41 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.167 -0.469 . . . . 1.1299999999999999 109.997 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -130.6 141.11 50.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.306 -0.406 . . . . 1.78 110.32 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 pp -144.94 161.64 38.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.42 -0.355 . . . . 1.1599999999999999 110.847 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.58 121.44 64.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 2.0800000000000001 109.976 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.47 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 31.9 Cg_exo -58.41 -25.97 75.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.054 2.503 . . . . 0.87 113.619 -177.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.54 61.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.086 0.469 . . . . 1.23 110.795 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -78.55 -21.18 49.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 3.5099999999999998 110.173 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.578 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 48.7 mt -85.56 -5.82 59.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.541 . . . . 1.9199999999999999 110.827 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.58 2.38 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 1.3999999999999999 110.76 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -98.9 -10.22 23.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 2.04 111.165 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.32 -173.55 30.1 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 119.935 -1.126 . . . . 0.93999999999999995 113.237 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -109.76 111.36 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.888 -0.782 . . . . 2.02 108.888 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 79.4 m-85 -105.28 146.63 29.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.665 0.745 . . . . 0.87 112.273 -169.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.77 152.89 34.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.754 -1.112 . . . . 2.1099999999999999 109.456 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.598 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.6 p90 -115.81 139.37 50.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.385 -0.969 . . . . 0.27000000000000002 108.385 170.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.36 168.63 25.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.147 0.499 . . . . 0.96999999999999997 111.832 -174.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 20.1 t -100.11 123.26 44.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.794 -1.094 . . . . 0.17999999999999999 108.257 173.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.0 p -95.56 13.21 26.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.913 0.387 . . . . 1.1000000000000001 111.552 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.59 134.28 95.96 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.083 -0.71 . . . . 0.32000000000000001 109.083 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.98 110.48 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.793 2.329 . . . . 0.55000000000000004 112.642 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.43 -8.76 52.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.779 -0.724 . . . . 0.5 112.316 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -103.07 -20.03 14.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.696 -0.297 . . . . 0.38 111.239 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.09 95.6 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.665 0.626 . . . . 0.60999999999999999 114.665 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -12.41 56.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.295 0.547 . . . . 1.5800000000000001 111.204 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 tp -105.58 -48.77 3.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.011 0.434 . . . . 2.6200000000000001 111.131 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.419 ' HE3' ' CA ' ' A' ' 16' ' ' MET . 36.3 mtt -93.64 81.71 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.239 -0.437 . . . . 1.27 110.416 -173.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -151.15 158.19 43.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.722 -0.672 . . . . 1.1299999999999999 110.834 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.14 -168.99 23.79 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.252 -0.885 . . . . 0.31 110.9 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.84 141.37 38.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.305 0.553 . . . . 2.0499999999999998 111.624 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.1 108.74 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 1.77 109.459 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.3 m -95.34 112.51 24.21 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.088 -0.506 . . . . 1.6799999999999999 111.327 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.7 tp -77.72 119.55 21.4 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.655 -0.868 . . . . 2.0099999999999998 108.655 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.79 157.66 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.085 0.469 . . . . 1.1899999999999999 111.127 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.499 -0.773 . . . . 2.25 110.355 178.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.8 m . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.026 0.441 . . . . 0.76000000000000001 110.97 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -154.87 146.35 23.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 1.0700000000000001 110.482 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.97 143.02 29.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.524 -0.307 . . . . 1.0800000000000001 110.5 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 m -106.81 130.61 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.0 0.429 . . . . 1.45 110.628 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 64.2 t -120.46 133.58 66.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.869 -0.605 . . . . 1.54 109.38 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HG2' ' HB2' ' A' ' 37' ' ' LYS . 41.3 mt-10 -106.4 142.35 36.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.5 . . . . 1.98 110.765 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 7.9 p -122.79 137.11 55.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.168 -0.924 . . . . 1.1799999999999999 108.808 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -123.22 -178.22 3.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.928 0.394 . . . . 1.79 111.227 -172.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.548 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 8.6 p-10 -76.63 2.4 14.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 2.2599999999999998 111.607 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.92 5.75 43.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.922 -0.399 . . . . 2.0899999999999999 109.922 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.45 ' HB3' ' HE2' ' A' ' 122' ' ' MET . 65.8 mtm 61.87 42.9 9.87 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.392 -0.822 . . . . 2.5299999999999998 111.284 178.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -134.22 126.25 29.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 2.3100000000000001 111.424 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 25.8 m-85 -74.23 146.1 43.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.45000000000000001 109.986 174.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' A' ' 11' ' ' GLU . 6.9 m-20 -58.97 -29.37 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 2.3100000000000001 111.348 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -144.45 152.0 40.01 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.243 -0.435 . . . . 1.27 110.404 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -117.03 11.96 14.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.332 0.587 . . . . 2.8500000000000001 110.018 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.469 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.1 t70 -143.56 129.15 19.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.55 -0.75 . . . . 2.0600000000000001 110.169 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.6 mt -124.42 126.82 72.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.182 -0.463 . . . . 1.1100000000000001 109.834 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -95.63 108.48 20.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.069 0.462 . . . . 2.04 110.711 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -95.78 118.8 42.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.792 -0.64 . . . . 1.1000000000000001 109.699 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.613 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 16.6 t -77.07 120.23 21.87 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.949 -0.569 . . . . 1.73 110.153 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -72.31 -10.56 59.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 1.5600000000000001 110.301 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.83 -10.11 58.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 1.1699999999999999 110.423 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' ' HB3' ' A' ' 26' ' ' SER . 99.0 m -88.17 148.2 24.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.48999999999999999 109.866 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -82.06 -27.59 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.172 -0.467 . . . . 3.98 110.438 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -155.55 149.73 25.73 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.429 -0.582 . . . . 2.0 109.429 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -127.65 125.11 39.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.889 -0.412 . . . . 0.39000000000000001 109.889 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 86.9 m -109.17 130.84 55.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.211 0.529 . . . . 1.04 111.161 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.4 mt -115.92 124.5 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 1.03 110.039 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -107.2 124.15 49.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.072 -0.513 . . . . 1.02 110.469 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 29.2 tp -102.87 128.17 49.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.362 -0.381 . . . . 1.05 110.263 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 34.2 mmtp -115.66 112.74 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 3.0699999999999998 109.96 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.7 94.37 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.16 0.505 . . . . 0.40999999999999998 110.229 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -78.85 145.94 33.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.416 -0.811 . . . . 2.0899999999999999 109.232 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.13 170.99 12.69 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.443 -0.663 . . . . 1.26 111.443 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.9 p -119.01 20.55 12.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.959 0.409 . . . . 2.2000000000000002 111.865 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -97.61 127.36 37.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.468 -0.333 . . . . 2.8100000000000001 110.582 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.01 165.45 32.34 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.732 2.288 . . . . 0.57999999999999996 112.353 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -53.61 -42.44 67.71 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.533 0.568 . . . . 2.4900000000000002 112.533 -171.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.16 -20.84 64.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.328 . . . . 1.27 111.806 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -93.8 -42.39 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 1.8600000000000001 110.317 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 51.7 ttm -164.87 83.18 0.38 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.275 0.559 . . . . 1.3200000000000001 110.638 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.82 156.22 21.39 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.133 -0.787 . . . . 0.14999999999999999 111.133 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.455 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 84.5 m-70 -135.75 154.99 51.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.808 0.337 . . . . 0.16 110.653 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -146.27 169.07 19.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 1.48 109.243 169.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tt -123.93 109.73 13.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.0 -0.741 . . . . 1.05 109.0 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 71.5 t -114.44 130.62 68.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.367 -0.833 . . . . 2.1299999999999999 110.614 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -112.44 118.6 58.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.113 -0.494 . . . . 1.3100000000000001 109.818 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.653 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -142.6 165.14 28.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 1.0900000000000001 111.052 -176.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -62.84 128.6 36.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.481 -0.781 . . . . 2.0499999999999998 109.884 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.74 66.03 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.458 0.54 . . . . 1.25 112.458 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.76 -12.12 59.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.729 0.299 . . . . 2.8900000000000001 111.167 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 12.1 m-20 -123.06 9.02 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 2.1499999999999999 110.403 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.653 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 11.5 tpt -68.17 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.852 -0.613 . . . . 1.1599999999999999 110.456 -173.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.4 t70 -60.33 -39.34 86.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 2.27 110.356 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.5 74.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.70999999999999996 112.3 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -72.01 -35.56 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.809 0.338 . . . . 1.23 110.573 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.51 -50.06 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.60999999999999999 111.249 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 11.7 ptmm? -64.18 -46.88 82.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.535 -0.302 . . . . 3.5699999999999998 111.679 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.06 -14.76 58.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.9 0.381 . . . . 2.2799999999999998 110.386 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.87 -30.79 72.42 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.915 -0.584 . . . . 0.54000000000000004 111.932 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.9 -36.82 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.087 0.47 . . . . 1.6299999999999999 110.409 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.33 4.29 73.14 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.935 -0.65 . . . . 0.62 112.355 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -112.76 34.44 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.187 0.518 . . . . 1.0 110.403 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.99 69.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.719 -0.673 . . . . 1.29 111.575 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.17 3.2 36.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 2.4399999999999999 111.461 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 t -145.01 54.7 1.22 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.418 0.628 . . . . 2.0600000000000001 111.183 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 66.47 20.04 10.9 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.426 -0.807 . . . . 1.6599999999999999 112.899 171.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 59.67 30.25 19.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.0 0.428 . . . . 1.2 111.489 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 m . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.096 -0.502 . . . . 2.0299999999999998 109.924 175.382 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.456 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 38.3 mtt180 . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 108.577 -0.897 . . . . 2.7599999999999998 108.577 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.98 139.38 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.479 -1.237 . . . . 1.45 109.927 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -101.03 -41.12 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 1.51 110.682 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.38 146.79 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.135 -0.484 . . . . 1.1499999999999999 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -154.55 140.06 17.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 2.5299999999999998 110.941 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.0 p -86.28 170.21 12.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.94999999999999996 110.327 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -73.43 153.12 40.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.207 -0.664 . . . . 3.3199999999999998 109.207 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -73.27 110.51 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.23 -1.026 . . . . 1.8999999999999999 108.23 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.471 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 30.5 pt -112.89 138.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.015 -0.539 . . . . 1.1000000000000001 111.841 -172.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -91.56 -169.72 41.78 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.629 -0.714 . . . . 0.79000000000000004 111.752 176.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.8 121.46 23.58 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.931 -0.652 . . . . 1.1499999999999999 112.348 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.12 8.34 57.88 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.825 -0.702 . . . . 0.80000000000000004 112.318 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 37.2 mt-10 -109.3 161.25 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 2.3399999999999999 110.859 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -143.83 148.56 35.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.8600000000000001 110.235 175.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 t -149.04 152.54 36.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 1.8600000000000001 109.308 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.0 m -135.25 157.28 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 1.1899999999999999 110.975 -175.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 97' ' ' LEU . 4.4 pp -138.46 158.31 44.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 1.1299999999999999 110.089 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.8 m -126.71 126.3 43.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.464 -0.569 . . . . 1.78 109.464 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.82 159.74 23.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.988 0.423 . . . . 1.1599999999999999 111.384 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -98.61 122.22 54.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.5 -0.773 . . . . 2.0800000000000001 110.317 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.505 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 34.9 Cg_exo -60.51 -30.88 91.64 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.108 2.539 . . . . 0.87 113.271 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.98 -32.97 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.618 0.247 . . . . 1.23 110.593 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.83 -35.44 81.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 3.5099999999999998 110.351 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.607 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 41.3 mt -79.93 -10.01 59.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 1.9199999999999999 110.534 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.85 -7.27 58.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.611 . . . . 1.3999999999999999 110.836 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -94.31 23.57 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 2.04 111.604 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.29 -169.85 38.52 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.847 -0.692 . . . . 0.93999999999999995 111.715 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.458 ' CG ' ' HZ1' ' A' ' 125' ' ' LYS . 23.5 t70 -108.55 119.83 40.65 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.784 -0.45 . . . . 2.02 109.784 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.607 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 58.5 m-85 -107.7 159.07 16.75 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.362 0.601 . . . . 0.87 112.383 -173.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -125.29 158.44 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.212 -0.903 . . . . 2.1099999999999999 109.282 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 21.6 p90 -123.05 142.73 50.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.716 -0.846 . . . . 0.27000000000000002 108.716 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.59 171.22 14.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.083 0.468 . . . . 0.96999999999999997 112.021 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.2 t -98.54 122.34 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.98 -1.009 . . . . 0.17999999999999999 108.568 173.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.2 p -92.95 11.5 27.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.15 0.426 . . . . 1.1000000000000001 112.15 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.57 137.29 97.09 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.821 -0.807 . . . . 0.32000000000000001 108.821 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.98 118.35 5.05 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.443 2.095 . . . . 0.55000000000000004 112.51 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.87 5.33 74.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.472 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.48 -19.51 13.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.928 0.344 . . . . 0.38 111.928 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.71 -27.44 73.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.111 -0.566 . . . . 0.60999999999999999 114.402 -170.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.86 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.355 0.577 . . . . 1.5800000000000001 111.612 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.2 tp -96.29 -39.2 9.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.964 0.411 . . . . 2.6200000000000001 110.892 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.45 ' HE2' ' HB3' ' A' ' 16' ' ' MET . 10.4 mtm -97.97 83.65 3.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.273 -0.421 . . . . 1.27 111.283 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -152.79 158.19 41.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.702 -0.681 . . . . 1.1299999999999999 110.007 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.18 -170.8 31.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.85 -0.69 . . . . 0.31 112.318 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 16.4 tppt? -108.18 131.87 54.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.106 0.479 . . . . 2.0499999999999998 111.491 -175.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.14 119.44 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.545 -0.909 . . . . 1.77 108.545 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 26.1 m -108.62 138.63 44.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.925 -0.579 . . . . 1.6799999999999999 111.418 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.408 HD22 ' HB3' ' A' ' 104' ' ' LEU . 4.4 mm? -89.3 118.75 29.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 2.0099999999999998 109.996 176.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 32.7 m -121.28 159.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 1.1899999999999999 110.326 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.258 -0.428 . . . . 2.25 110.6 -178.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 63.0 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.346 0.594 . . . . 0.76000000000000001 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.4 148.31 28.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.843 -0.617 . . . . 1.0700000000000001 110.157 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.98 141.9 28.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.411 -0.359 . . . . 1.0800000000000001 110.456 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 m -108.5 129.47 55.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.14 0.495 . . . . 1.45 110.535 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 92.5 t -120.07 126.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.631 -0.713 . . . . 1.54 109.742 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.04 145.57 31.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.916 0.389 . . . . 1.98 110.768 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 23.0 t -132.37 137.03 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.099 -1.074 . . . . 1.1799999999999999 108.099 172.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -121.46 -166.96 1.43 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.285 0.476 . . . . 1.79 112.285 -168.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.602 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 11.5 p-10 -75.35 -19.66 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.579 -0.737 . . . . 2.2599999999999998 111.683 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.71 7.56 12.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.485 0.66 . . . . 2.0899999999999999 110.083 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.438 ' HB3' ' HE3' ' A' ' 122' ' ' MET . 65.6 mtt 62.53 59.49 1.5 Allowed 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 114.805 -1.089 . . . . 2.5299999999999998 111.557 174.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.55 150.55 19.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.996 -0.547 . . . . 2.3100000000000001 110.985 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -83.87 143.05 30.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.567 -0.742 . . . . 0.45000000000000001 109.311 170.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -68.12 -20.26 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 2.3100000000000001 111.286 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -132.92 145.63 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.327 . . . . 1.27 110.206 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -108.59 -6.87 15.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.346 0.593 . . . . 2.8500000000000001 110.309 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -137.66 130.09 29.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.094 -0.503 . . . . 2.0600000000000001 110.78 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.82 131.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.109 -0.496 . . . . 1.1100000000000001 110.2 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -107.97 126.06 52.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.968 -0.56 . . . . 2.04 110.358 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.0 t -108.08 122.74 62.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.588 -0.733 . . . . 1.1000000000000001 109.952 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.5 t -77.91 122.45 25.51 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.134 0.492 . . . . 1.73 111.005 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -69.54 -20.17 63.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.494 -0.775 . . . . 1.5600000000000001 110.079 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.14 -10.68 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.684 -0.689 . . . . 1.1699999999999999 110.827 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 88.4 m -95.81 142.53 27.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.972 -0.558 . . . . 0.48999999999999999 109.858 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -78.33 -46.37 20.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.148 -0.478 . . . . 3.98 110.242 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -123.46 130.19 52.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.718 -0.475 . . . . 2.0 109.718 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 38.3 t80 -119.46 116.56 26.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.39000000000000001 109.515 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 67.5 m -111.03 130.4 55.61 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.908 -0.587 . . . . 1.04 110.936 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.05 124.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.944 -0.571 . . . . 1.03 110.151 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -103.85 124.01 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.282 -0.417 . . . . 1.02 110.694 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 33.3 tp -99.91 130.75 46.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.554 . . . . 1.05 109.584 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.88 116.7 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.069 0.461 . . . . 3.0699999999999998 110.064 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.4 t60 -100.71 98.92 9.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.107 0.479 . . . . 0.40999999999999998 110.526 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -81.86 146.17 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.609 -0.723 . . . . 2.0899999999999999 109.445 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.55 166.0 10.88 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.095 -0.802 . . . . 1.26 111.095 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.0 p -111.78 20.18 17.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.212 0.506 . . . . 2.2000000000000002 110.972 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -99.34 133.58 21.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.128 -0.487 . . . . 2.8100000000000001 110.958 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.66 158.22 57.86 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.356 2.704 . . . . 0.57999999999999996 112.319 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -71.85 -15.74 62.13 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.753 -0.658 . . . . 2.4900000000000002 111.936 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.89 61.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.853 0.358 . . . . 1.27 111.153 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 p -112.14 -51.33 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 1.8600000000000001 110.873 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.602 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 50.6 ttm -126.46 67.17 1.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.524 0.678 . . . . 1.3200000000000001 110.168 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.03 153.08 21.0 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 110.995 -0.842 . . . . 0.14999999999999999 110.995 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.466 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 87.6 m-70 -134.9 150.35 50.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.59 -0.444 . . . . 0.16 110.947 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -142.4 169.72 17.05 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 1.48 108.823 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 tt -132.28 112.39 12.19 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.426 -0.583 . . . . 1.05 109.426 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.617 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.8 m -110.33 149.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.717 -0.674 . . . . 2.1299999999999999 110.273 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -124.31 118.92 55.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.835 -0.432 . . . . 1.3100000000000001 109.835 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HB2' ' SD ' ' A' ' 59' ' ' MET . . . -147.62 177.43 9.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.677 . . . . 1.0900000000000001 111.21 -174.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -66.35 128.97 38.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.751 -0.659 . . . . 2.0499999999999998 110.475 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.41 -31.06 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 1.25 112.282 -176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.83 -13.34 59.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.406 -0.361 . . . . 2.8900000000000001 111.811 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -122.76 14.95 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.576 0.703 . . . . 2.1499999999999999 109.447 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.413 ' SD ' ' HB2' ' A' ' 54' ' ' ALA . 9.5 tpt -65.24 -34.42 78.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.272 -0.876 . . . . 1.1599999999999999 110.984 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.22 -38.45 89.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 2.27 110.456 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.94 -31.12 79.89 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.732 -0.667 . . . . 0.70999999999999996 111.611 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.22 -40.81 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 1.23 110.276 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -72.86 -30.33 63.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.60999999999999999 110.754 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -72.0 -49.18 39.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 3.5699999999999998 110.747 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.16 -16.33 59.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.17 -0.468 . . . . 2.2799999999999998 110.713 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.08 -48.26 33.37 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.966 -0.561 . . . . 0.54000000000000004 112.762 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -61.93 -30.22 48.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 1.6299999999999999 110.913 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.22 14.83 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.62 112.548 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.416 ' HB2' ' OG1' ' A' ' 72' ' ' THR . . . -127.02 51.03 1.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.202 0.525 . . . . 1.0 110.38 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.815 -0.63 . . . . 1.29 111.946 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.14 -0.18 30.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.712 0.292 . . . . 2.4399999999999999 111.494 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.524 ' O ' HG21 ' A' ' 75' ' ' VAL . 19.0 p -128.19 44.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.739 0.304 . . . . 2.0600000000000001 111.033 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 59.6 26.91 16.01 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.841 -0.618 . . . . 1.6599999999999999 112.043 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CD2' HD11 ' A' ' 88' ' ' LEU . 42.4 m-85 62.43 31.89 16.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 1.2 111.537 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 72' ' ' THR . 13.5 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 2.0299999999999998 110.222 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 121.209 0.528 . . . . 2.7599999999999998 109.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.4 t -94.55 126.02 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.573 -0.74 . . . . 1.45 110.624 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.96 -44.06 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 1.51 110.087 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.14 156.62 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 1.1499999999999999 110.179 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -158.2 152.9 24.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.665 0.269 . . . . 2.5299999999999998 110.605 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.1 p -95.41 -179.16 4.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.195 -0.669 . . . . 0.94999999999999996 109.195 169.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -99.7 168.52 9.87 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.519 -0.549 . . . . 3.3199999999999998 109.519 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 74' ' ' TYR . 24.0 mt -71.65 120.73 17.66 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.723 0.297 . . . . 1.8999999999999999 110.659 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 28.7 pt -120.94 142.31 37.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.11 -0.495 . . . . 1.1000000000000001 110.836 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.89 -168.17 30.75 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.79000000000000004 111.691 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.6 116.93 9.23 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.785 -0.721 . . . . 1.1499999999999999 111.996 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 99.23 20.52 17.75 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.779 -0.724 . . . . 0.80000000000000004 112.283 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -129.88 157.1 43.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.868 0.366 . . . . 2.3399999999999999 110.981 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -131.18 152.94 49.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 1.8600000000000001 109.833 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.1 p -142.33 169.38 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 1.8600000000000001 109.803 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -151.36 156.64 41.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 1.1899999999999999 111.58 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 97' ' ' LEU . 4.5 pp -138.16 158.93 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.582 -0.735 . . . . 1.1299999999999999 109.406 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.4 m -135.47 132.34 37.27 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.43 -0.581 . . . . 1.78 109.43 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.41 157.63 42.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.06 0.457 . . . . 1.1599999999999999 111.101 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.32 115.41 64.02 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.266 -0.879 . . . . 2.0800000000000001 109.417 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.589 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 50.6 Cg_exo -53.54 -30.77 56.01 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.172 2.581 . . . . 0.87 113.685 -176.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.44 -17.76 64.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 1.23 111.293 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -80.15 -11.68 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 3.5099999999999998 110.584 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.411 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 55.6 mt -94.47 3.48 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 1.9199999999999999 110.939 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.64 39.64 1.04 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.052 -0.522 . . . . 1.3999999999999999 110.482 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.56 12.18 6.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 2.04 111.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.14 -168.45 25.09 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.248 -0.977 . . . . 0.93999999999999995 112.58 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.97 123.39 33.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.986 -0.375 . . . . 2.02 109.986 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.411 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 57.7 m-85 -106.26 153.28 22.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.87 111.294 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -124.51 156.66 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.977 -0.556 . . . . 2.1099999999999999 110.275 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.617 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 40.3 p90 -115.79 145.6 42.68 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.387 -0.968 . . . . 0.27000000000000002 108.387 170.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.24 165.05 29.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.276 0.473 . . . . 0.96999999999999997 112.276 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.7 t -99.94 119.79 38.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.808 -1.087 . . . . 0.17999999999999999 108.233 172.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.2 p -90.33 16.77 8.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 1.1000000000000001 111.825 -174.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -70.45 137.86 86.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.242 -0.651 . . . . 0.32000000000000001 109.242 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 113.52 1.19 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.893 2.396 . . . . 0.55000000000000004 112.973 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 95.57 -7.05 68.21 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.5 112.469 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -100.35 -29.57 12.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.734 -0.274 . . . . 0.38 111.421 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.08 -49.29 63.5 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 114.548 0.579 . . . . 0.60999999999999999 114.548 -170.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.93 -20.41 64.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.837 0.351 . . . . 1.5800000000000001 111.589 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.5 tp -98.94 -44.57 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.381 -0.372 . . . . 2.6200000000000001 111.315 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.438 ' HE3' ' HB3' ' A' ' 16' ' ' MET . 37.8 mtt -98.92 82.44 2.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.987 0.422 . . . . 1.27 110.504 -172.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -153.43 153.15 31.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.742 -0.663 . . . . 1.1299999999999999 110.461 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -154.15 -162.87 11.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.246 -0.741 . . . . 0.31 111.246 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -107.69 140.16 41.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.317 0.558 . . . . 2.0499999999999998 112.125 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 111' ' ' PHE . 88.4 t -115.66 103.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.724 -0.843 . . . . 1.77 108.724 171.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 39.9 m -109.08 134.22 51.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.173 0.511 . . . . 1.6799999999999999 111.573 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.58 123.62 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.524 -0.762 . . . . 2.0099999999999998 109.855 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.65 154.68 14.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.421 . . . . 1.1899999999999999 110.713 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 2.25 110.305 -178.055 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 65.4 m . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.159 0.504 . . . . 0.76000000000000001 110.334 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.8 150.54 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.646 -0.707 . . . . 1.0700000000000001 110.506 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.06 154.72 42.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 1.0800000000000001 110.461 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 m -123.56 127.97 49.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.989 0.424 . . . . 1.45 110.637 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -116.94 130.96 70.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 1.54 109.977 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.08 129.03 48.3 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.304 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.8 p -118.28 135.22 54.42 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.241 -0.651 . . . . 1.1799999999999999 109.241 175.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -122.5 -165.5 1.3 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.875 -0.33 . . . . 1.79 110.963 -173.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -90.13 4.29 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 2.2599999999999998 111.763 -175.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -95.41 9.52 39.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.959 0.409 . . . . 2.0899999999999999 110.4 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mtt 62.46 54.74 2.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.382 -0.827 . . . . 2.5299999999999998 111.14 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -154.18 154.46 33.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.219 -0.446 . . . . 2.3100000000000001 111.19 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 122' ' ' MET . 60.4 m-85 -98.85 155.43 17.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.103 -1.073 . . . . 0.45000000000000001 108.103 168.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -78.96 1.0 25.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 2.3100000000000001 110.949 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -156.21 136.25 12.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.239 -0.437 . . . . 1.27 110.047 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -105.04 17.63 23.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.116 0.484 . . . . 2.8500000000000001 110.172 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 30.7 t70 -143.64 134.36 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.672 -0.694 . . . . 2.0600000000000001 110.531 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.2 mt -127.97 133.7 66.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.759 -0.46 . . . . 1.1100000000000001 109.759 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -103.95 117.54 34.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.128 -0.487 . . . . 2.04 110.467 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 101' ' ' PRO . 85.9 t -107.2 120.92 59.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.068 -0.515 . . . . 1.1000000000000001 110.208 178.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -77.43 121.35 23.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.039 0.447 . . . . 1.73 110.98 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.54 -19.05 60.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.784 -0.644 . . . . 1.5600000000000001 110.672 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.98 63.1 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.409 0.623 . . . . 1.1699999999999999 109.847 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 78.5 m -86.98 144.44 26.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.296 -0.865 . . . . 0.48999999999999999 109.145 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 10.9 mptt -88.81 -23.75 22.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.752 0.311 . . . . 3.98 110.298 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -141.42 139.7 33.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 2.0 109.965 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -121.3 132.66 54.92 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.845 -0.428 . . . . 0.39000000000000001 109.845 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 88.9 m -112.75 132.92 55.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.035 0.445 . . . . 1.04 111.137 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.09 130.43 74.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.088 -0.505 . . . . 1.03 110.094 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -110.24 126.35 54.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.28 -0.418 . . . . 1.02 110.462 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 tp -103.15 124.64 48.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.097 -0.501 . . . . 1.05 110.016 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -113.26 108.53 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.232 -0.44 . . . . 3.0699999999999998 110.17 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.5 t60 -88.35 93.4 9.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.775 -0.454 . . . . 0.40999999999999998 109.775 177.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 p -82.67 56.6 3.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 2.0899999999999999 111.234 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -143.15 158.45 27.23 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.847 -0.901 . . . . 1.26 110.847 177.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -104.53 18.53 22.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.149 0.474 . . . . 2.2000000000000002 111.854 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -99.47 136.52 20.36 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.168 -0.469 . . . . 2.8100000000000001 110.466 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -65.42 153.11 79.7 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.4 2.733 . . . . 0.57999999999999996 112.549 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -67.08 -19.03 65.59 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.659 -0.7 . . . . 2.4900000000000002 111.831 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.46 -10.23 59.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.399 -0.364 . . . . 1.27 111.24 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 t -121.93 -55.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 1.8600000000000001 110.311 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 tpp -127.54 68.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.651 0.738 . . . . 1.3200000000000001 109.284 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.8 152.51 20.33 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 114.999 -1.0 . . . . 0.14999999999999999 111.405 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 85.6 m-70 -134.25 151.36 51.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.991 0.424 . . . . 0.16 110.65 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.404 ' ND2' ' HE2' ' A' ' 85' ' ' HIS . 29.9 p30 -146.78 168.79 20.51 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.365 -0.834 . . . . 1.48 108.916 172.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 8.8 tt -133.37 117.24 17.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.723 -0.473 . . . . 1.05 109.723 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 7.4 p -117.81 146.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.891 -0.595 . . . . 2.1299999999999999 109.686 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.4 mt -121.25 123.68 70.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.376 -0.375 . . . . 1.3100000000000001 110.21 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.568 ' HB1' ' SD ' ' A' ' 59' ' ' MET . . . -148.04 174.12 12.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 1.0900000000000001 110.708 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.59 127.65 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 2.0499999999999998 109.951 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.93 65.69 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.378 0.881 . . . . 1.25 113.378 -169.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.62 -9.17 59.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.73 0.3 . . . . 2.8900000000000001 111.516 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.83 8.12 8.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.665 0.745 . . . . 2.1499999999999999 109.853 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.568 ' SD ' ' HB1' ' A' ' 54' ' ' ALA . 12.0 tpt -65.11 -34.87 79.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.361 -0.836 . . . . 1.1599999999999999 110.884 -175.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 1.8 m-20 -62.3 -35.7 79.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.27 110.635 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.01 -28.81 72.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.892 -0.671 . . . . 0.70999999999999996 111.681 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.56 -39.97 86.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 1.23 110.386 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -68.59 -31.74 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.60999999999999999 110.709 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.5 mtpt -69.68 -39.06 77.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.531 . . . . 3.5699999999999998 110.32 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -73.89 -28.48 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.093 -0.503 . . . . 2.2799999999999998 110.403 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 -44.87 48.49 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.556 -0.747 . . . . 0.54000000000000004 113.224 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.71 -19.11 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.386 . . . . 1.6299999999999999 111.39 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.38 16.32 55.31 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.57 -0.824 . . . . 0.62 112.412 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -132.03 48.72 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.99 0.424 . . . . 1.0 111.447 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 1.29 111.479 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.81 -15.65 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 2.4399999999999999 111.614 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.2 t -131.54 55.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.66 0.743 . . . . 2.0600000000000001 110.932 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 56.8 28.2 14.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.058 -0.973 . . . . 1.6599999999999999 112.489 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CD2' HD13 ' A' ' 88' ' ' LEU . 47.3 m-85 60.65 39.52 17.58 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.114 0.566 . . . . 1.2 112.192 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 2.0299999999999998 110.088 170.328 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.98 0.419 . . . . 2.7599999999999998 111.133 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.5 t -130.28 84.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 1.45 110.294 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.32 -39.22 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.505 0.669 . . . . 1.51 109.683 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -162.95 151.15 13.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.883 -1.053 . . . . 1.1499999999999999 109.251 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 30.4 t-80 -156.62 133.88 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 2.5299999999999998 111.703 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.528 ' HB ' ' OG ' ' A' ' 95' ' ' SER . 30.9 p -88.73 145.5 25.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.94999999999999996 109.884 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.55 154.34 42.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.547 -0.297 . . . . 3.3199999999999998 110.611 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 74' ' ' TYR . 34.9 mt -60.97 114.66 3.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.165 -0.47 . . . . 1.8999999999999999 110.108 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.0 pt -109.24 135.01 49.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-O 121.198 0.523 . . . . 1.1000000000000001 111.238 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.92 -139.33 10.75 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.066 -0.97 . . . . 0.79000000000000004 112.866 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -69.62 110.87 3.55 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.303 -0.475 . . . . 1.1499999999999999 113.225 -174.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.61 28.82 58.75 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.855 -0.688 . . . . 0.80000000000000004 112.807 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -113.96 161.21 17.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 2.3399999999999999 110.783 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -143.07 153.15 42.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.506 -0.77 . . . . 1.8600000000000001 109.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.528 ' OG ' ' HB ' ' A' ' 86' ' ' THR . 15.5 p -148.87 153.47 38.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.675 0.274 . . . . 1.8600000000000001 110.433 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -128.75 158.92 37.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 1.1899999999999999 110.792 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 97' ' ' LEU . 4.2 pp -138.44 161.27 37.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 1.1299999999999999 109.61 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 36.3 m -135.04 131.78 37.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.251 -0.648 . . . . 1.78 109.251 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 pp -129.37 158.87 37.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.371 . . . . 1.1599999999999999 111.261 -175.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.05 111.46 54.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.618 -0.719 . . . . 2.0800000000000001 109.794 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 31.0 Cg_endo -63.99 -19.8 66.97 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.997 2.465 . . . . 0.87 113.414 -173.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.45 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.053 0.454 . . . . 1.23 110.99 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -81.18 -22.43 38.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 3.5099999999999998 110.614 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.421 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.96 -8.54 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 1.9199999999999999 110.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.32 -6.16 50.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 1.3999999999999999 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.1 -31.22 62.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.84 -0.618 . . . . 2.04 111.438 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.7 -147.45 8.45 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.928 -1.129 . . . . 0.93999999999999995 113.169 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.55 115.49 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 2.02 110.136 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 13.6 m-85 -107.7 151.92 25.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.176 -0.466 . . . . 0.87 111.647 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -137.65 159.62 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 2.1099999999999999 110.381 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 38.6 p90 -122.43 150.14 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.17 -0.678 . . . . 0.27000000000000002 109.17 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.62 164.92 19.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.96999999999999997 111.672 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 41.0 t -92.94 121.45 34.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.992 -1.004 . . . . 0.17999999999999999 108.359 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.1 p -88.88 15.54 8.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.063 0.394 . . . . 1.1000000000000001 112.063 -173.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -69.58 131.47 89.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.746 -0.835 . . . . 0.32000000000000001 108.746 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.58 115.43 2.39 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.922 2.415 . . . . 0.55000000000000004 112.523 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.98 -30.62 9.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.438 -0.665 . . . . 0.5 111.438 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -80.17 -44.25 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.619 0.247 . . . . 0.38 110.464 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -16.95 20.9 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 114.342 0.497 . . . . 0.60999999999999999 114.342 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.1 -32.69 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.986 0.393 . . . . 1.5800000000000001 111.77 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.82 -7.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 2.6200000000000001 111.784 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.483 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 9.2 ttm -109.8 73.85 0.86 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.37 0.605 . . . . 1.27 109.687 -175.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -143.01 168.59 19.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.269 -0.878 . . . . 1.1299999999999999 110.824 -174.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -165.61 -176.32 36.95 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.851 -0.69 . . . . 0.31 112.188 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 28.3 mmmt -104.64 132.61 50.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.672 0.272 . . . . 2.0499999999999998 110.447 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.5 p -110.79 115.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.007 -0.738 . . . . 1.77 109.007 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.5 m -104.98 131.99 51.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.437 -0.801 . . . . 1.6799999999999999 111.144 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.73 112.74 21.33 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.068 -0.715 . . . . 2.0099999999999998 109.068 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.72 172.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.767 -0.651 . . . . 1.1899999999999999 110.491 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.247 -0.433 . . . . 2.25 111.343 -179.031 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 62.9 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.288 0.566 . . . . 0.76000000000000001 110.373 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.96 154.03 33.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 1.0700000000000001 110.254 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.44 26.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.0 -0.545 . . . . 1.0800000000000001 110.211 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -109.64 115.4 29.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.993 0.425 . . . . 1.45 110.118 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.9 t -108.26 122.97 63.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.944 -0.571 . . . . 1.54 109.915 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' H ' ' HB2' ' A' ' 19' ' ' ASN . 32.8 mt-10 -93.84 143.07 26.67 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 1.98 109.843 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -132.13 136.84 47.4 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.305 -0.628 . . . . 1.1799999999999999 109.305 175.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -125.61 -176.58 3.64 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.921 -0.312 . . . . 1.79 110.841 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -83.75 2.26 38.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 2.2599999999999998 110.368 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -88.39 5.0 44.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 2.0899999999999999 110.35 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.0 mtp 67.01 54.76 0.74 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.306 -0.861 . . . . 2.5299999999999998 111.362 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -157.95 171.33 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 2.3100000000000001 110.533 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -115.2 172.89 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.45000000000000001 110.994 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HB2' ' H ' ' A' ' 11' ' ' GLU . 23.3 t-20 -66.58 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 2.3100000000000001 110.525 173.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -147.76 159.82 43.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.583 . . . . 1.27 110.156 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -118.24 7.86 12.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 2.8500000000000001 109.39 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.21 135.83 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.168 -0.924 . . . . 2.0600000000000001 110.0 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.18 129.97 67.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.435 . . . . 1.1100000000000001 110.075 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -107.58 114.1 27.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.07 -0.513 . . . . 2.04 110.825 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.06 118.46 45.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 1.1000000000000001 110.292 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.5 m -80.85 121.95 26.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.062 0.458 . . . . 1.73 110.571 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.04 -24.69 67.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.669 -0.696 . . . . 1.5600000000000001 112.431 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.48 6.89 9.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.044 0.449 . . . . 1.1699999999999999 111.539 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 71.5 m -100.63 141.24 33.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.194 -0.457 . . . . 0.48999999999999999 110.396 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -64.71 -50.07 68.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.83 -0.623 . . . . 3.98 110.292 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -138.97 148.9 44.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 2.0 109.806 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.1 t80 -108.74 115.75 30.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.354 -0.61 . . . . 0.39000000000000001 109.354 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -97.86 109.08 21.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.253 0.549 . . . . 1.04 111.406 -174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -100.04 120.35 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 1.03 109.906 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -108.56 121.94 46.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.289 -0.414 . . . . 1.02 110.803 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 30.4 tp -100.88 126.45 47.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.037 -0.529 . . . . 1.05 109.878 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -120.63 110.12 16.05 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.28 -0.418 . . . . 3.0699999999999998 109.938 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.1 t60 -85.21 91.86 8.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 0.40999999999999998 110.126 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -82.38 77.16 9.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.081 -0.963 . . . . 2.0899999999999999 110.372 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.04 -175.42 22.91 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.585 -1.006 . . . . 1.26 110.585 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.5 p -125.08 13.87 8.41 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 117.186 0.493 . . . . 2.2000000000000002 111.34 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 13.7 mm100 -93.03 135.71 25.52 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.21 -0.45 . . . . 2.8100000000000001 111.173 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.63 154.48 68.21 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.863 2.375 . . . . 0.57999999999999996 111.38 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -67.13 -15.69 63.87 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.605 0.594 . . . . 2.4900000000000002 112.605 -171.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.7 -12.78 59.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.934 0.397 . . . . 1.27 111.104 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -111.79 -58.38 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.386 -0.37 . . . . 1.8600000000000001 110.277 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.4 ' HB3' ' CB ' ' A' ' 42' ' ' GLN . 56.7 tpp -133.38 71.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.324 0.583 . . . . 1.3200000000000001 109.632 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.38 152.26 20.14 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.458 -0.792 . . . . 0.14999999999999999 111.299 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.462 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 86.5 m-70 -135.42 153.4 51.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.16 110.886 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -143.49 175.26 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.624 -0.716 . . . . 1.48 109.135 169.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -135.02 114.31 12.33 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.41 -0.589 . . . . 1.05 109.41 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 21.6 m -110.74 149.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 2.1299999999999999 110.633 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.3 mm -116.01 116.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.949 -0.569 . . . . 1.3100000000000001 109.676 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB2' ' SD ' ' A' ' 59' ' ' MET . . . -148.9 172.23 15.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 1.0900000000000001 110.773 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.7 150.33 37.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.391 -0.368 . . . . 2.0499999999999998 110.825 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.93 -51.42 63.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.365 . . . . 1.25 111.945 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.76 -27.6 65.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 2.8900000000000001 111.777 -176.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -97.06 -0.34 47.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.996 0.427 . . . . 2.1499999999999999 110.917 -174.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 54' ' ' ALA . 7.2 tpt -67.22 -35.07 78.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 1.1599999999999999 110.874 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.97 -41.27 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 2.27 111.039 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.93 -29.9 73.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.799 -0.715 . . . . 0.70999999999999996 111.866 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.63 -45.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.744 0.307 . . . . 1.23 110.573 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 67' ' ' VAL . 44.4 m-85 -65.35 -41.13 94.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.405 -0.361 . . . . 0.60999999999999999 110.681 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -61.22 -49.19 78.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 3.5699999999999998 110.857 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.22 -30.37 64.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 2.2799999999999998 109.952 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.64 92.63 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.364 -0.834 . . . . 0.54000000000000004 112.725 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 63' ' ' PHE . 87.2 t -61.03 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 1.6299999999999999 110.678 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.87 8.45 79.78 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.908 -0.663 . . . . 0.62 112.128 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.407 ' HB3' ' CG2' ' A' ' 72' ' ' THR . . . -116.34 41.23 2.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.501 . . . . 1.0 110.641 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.11 67.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 1.29 111.604 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 -11.77 59.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.954 -0.567 . . . . 2.4399999999999999 111.81 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 69' ' ' ALA . 5.4 t -130.81 54.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.603 0.716 . . . . 2.0600000000000001 111.174 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 63.51 23.38 13.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.264 -0.88 . . . . 1.6599999999999999 112.315 171.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 60.47 35.58 20.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.005 -0.543 . . . . 1.2 111.563 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 2.0299999999999998 109.957 177.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 120.962 0.411 . . . . 2.7599999999999998 110.127 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 t -89.0 117.88 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.651 -0.704 . . . . 1.45 110.051 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.01 -44.0 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 1.51 110.186 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.32 156.64 26.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.408 -0.814 . . . . 1.1499999999999999 109.579 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -151.97 150.4 29.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.921 0.391 . . . . 2.5299999999999998 110.872 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 76.8 p -89.51 176.47 6.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.714 -0.847 . . . . 0.94999999999999996 108.714 169.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -90.37 164.22 14.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.501 -0.555 . . . . 3.3199999999999998 109.501 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -80.09 100.75 8.36 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.049 -0.723 . . . . 1.8999999999999999 109.049 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.2 pt -103.71 147.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.343 0.592 . . . . 1.1000000000000001 112.163 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.32 -171.96 32.29 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.174 -0.921 . . . . 0.79000000000000004 111.683 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.45 112.89 5.13 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.073 -0.584 . . . . 1.1499999999999999 112.595 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.16 -9.23 18.06 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.631 -0.795 . . . . 0.80000000000000004 112.55 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -106.99 156.0 19.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 2.3399999999999999 111.249 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -123.67 156.95 34.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.485 -0.78 . . . . 1.8600000000000001 109.691 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 t -153.15 141.22 20.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 1.8600000000000001 109.779 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 m -129.33 161.57 29.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 1.1899999999999999 111.012 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.43 ' C ' HD11 ' A' ' 97' ' ' LEU . 4.6 pp -142.98 159.77 41.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 1.1299999999999999 109.874 176.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -128.39 124.39 36.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 1.78 110.37 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.2 pp -121.1 154.86 35.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.777 -0.453 . . . . 1.1599999999999999 109.777 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.9 p30 -95.42 135.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.921 -0.4 . . . . 2.0800000000000001 109.921 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 17.8 Cg_exo -67.0 -12.24 35.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.792 2.328 . . . . 0.87 112.872 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.36 75.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.78 0.324 . . . . 1.23 110.697 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.72 ' HZ3' ' HH ' ' A' ' 109' ' ' TYR . 28.5 tptp -67.12 -31.57 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.304 -0.407 . . . . 3.5099999999999998 110.767 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.27 -17.71 44.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.839 0.352 . . . . 1.9199999999999999 111.014 -178.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.19 60.94 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.11 -0.495 . . . . 1.3999999999999999 110.472 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -167.97 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 2.04 111.813 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.5 -173.73 18.84 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.655 -1.26 . . . . 0.93999999999999995 113.742 -175.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.74 117.15 29.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.749 -0.463 . . . . 2.02 109.749 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.72 ' HH ' ' HZ3' ' A' ' 103' ' ' LYS . 40.6 m-85 -106.92 154.54 20.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.336 0.588 . . . . 0.87 112.038 -176.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.452 ' HZ1' ' HB2' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -142.28 154.79 45.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.521 -0.763 . . . . 2.1099999999999999 109.353 175.626 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 48.1 p90 -115.39 153.84 30.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.308 -0.627 . . . . 0.27000000000000002 109.308 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.21 167.17 18.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.571 0.582 . . . . 0.96999999999999997 112.571 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 44.9 t -96.23 124.59 40.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.444 -1.253 . . . . 0.17999999999999999 108.304 171.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.8 p -92.84 11.0 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.299 0.481 . . . . 1.1000000000000001 112.299 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -63.75 134.35 95.87 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.336 -0.616 . . . . 0.32000000000000001 109.336 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.16 107.79 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.107 2.538 . . . . 0.55000000000000004 113.324 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.93 -25.63 23.33 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.724 -0.671 . . . . 0.5 112.191 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -79.12 -36.4 40.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.544 0.212 . . . . 0.38 111.167 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.13 -30.9 61.31 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 116.17 -0.468 . . . . 0.60999999999999999 114.147 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.28 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.813 0.301 . . . . 1.5800000000000001 111.813 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 32.9 tp -120.16 -38.81 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 2.6200000000000001 111.435 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.3 mtt -90.51 72.76 6.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.947 0.403 . . . . 1.27 110.713 -174.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -147.12 149.08 32.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 1.1299999999999999 110.274 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.51 13.49 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.798 -0.637 . . . . 0.31 111.88 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -104.08 141.48 36.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 2.0499999999999998 111.107 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.21 114.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.209 -0.663 . . . . 1.77 109.209 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.9 m -116.72 141.21 48.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.583 -0.735 . . . . 1.6799999999999999 111.38 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 20.0 tp -80.6 125.11 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 2.0099999999999998 109.456 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.0 m -110.17 154.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.251 0.548 . . . . 1.1899999999999999 111.019 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 2.25 110.477 -175.847 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.799 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 64.7 m . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.154 0.502 . . . . 0.76000000000000001 110.667 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -145.84 146.01 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.009 -0.541 . . . . 1.0700000000000001 110.386 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 140.02 50.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.221 -0.445 . . . . 1.0800000000000001 110.846 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 m -105.15 122.87 46.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.21 -0.45 . . . . 1.45 110.128 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.4 t -122.2 130.5 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.751 -0.462 . . . . 1.54 109.751 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.97 142.62 44.15 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.618 -0.512 . . . . 1.98 109.618 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -122.56 134.35 54.54 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.144 -0.687 . . . . 1.1799999999999999 109.144 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -113.83 -170.48 1.71 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.138 0.494 . . . . 1.79 111.832 -169.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.726 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 7.3 p-10 -84.05 5.56 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.703 -0.68 . . . . 2.2599999999999998 111.145 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.401 ' N ' HD21 ' A' ' 15' ' ' ASN . 0.9 OUTLIER -96.64 7.02 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.185 0.517 . . . . 2.0899999999999999 109.896 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.25 53.09 5.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.875 -1.057 . . . . 2.5299999999999998 111.176 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -155.56 154.54 31.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 2.3100000000000001 110.61 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 48.5 m-85 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.45000000000000001 109.869 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -61.61 -21.27 64.21 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.867 -0.606 . . . . 2.3100000000000001 111.931 176.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -138.39 160.89 38.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.188 0.518 . . . . 1.27 111.567 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -115.65 -7.0 12.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 2.8500000000000001 110.521 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 7.5 p-10 -143.62 136.04 27.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 2.0600000000000001 110.922 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 93.3 mt -128.91 130.28 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.706 -0.479 . . . . 1.1100000000000001 109.706 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -108.06 125.03 51.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.291 -0.413 . . . . 2.04 110.408 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -103.08 117.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.054 -0.521 . . . . 1.1000000000000001 110.404 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.2 t -74.7 125.54 28.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.007 -0.542 . . . . 1.73 110.747 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HD2' ' OD1' ' A' ' 130' ' ' ASP . 19.8 ptpt -75.78 -9.18 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.5600000000000001 110.362 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.56 -1.08 22.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.271 0.558 . . . . 1.1699999999999999 110.398 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.799 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 85.9 m -112.02 138.47 48.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.529 -0.76 . . . . 0.48999999999999999 109.612 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -74.75 -32.73 62.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.232 0.539 . . . . 3.98 109.798 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.93 139.91 45.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.587 -0.733 . . . . 2.0 109.987 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -117.87 124.24 47.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.317 -0.623 . . . . 0.39000000000000001 109.317 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 27.5 m -108.32 132.77 53.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 1.04 110.929 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -120.37 123.39 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.194 -0.457 . . . . 1.03 109.925 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -105.3 120.57 41.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.293 -0.412 . . . . 1.02 110.239 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.543 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 28.6 tp -106.63 129.28 54.57 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.064 -0.516 . . . . 1.05 109.698 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -129.13 128.37 43.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 3.0699999999999998 110.132 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.569 ' O ' ' HA2' ' A' ' 92' ' ' GLY . 0.9 OUTLIER -87.02 102.26 14.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.663 -0.699 . . . . 0.40999999999999998 110.066 -176.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 p -79.42 53.87 1.62 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.724 0.773 . . . . 2.0899999999999999 110.599 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.43 129.28 2.65 Favored Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 115.19 -0.914 . . . . 1.26 110.88 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -82.55 10.09 8.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.467 0.651 . . . . 2.2000000000000002 110.774 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.59 131.58 60.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 2.8100000000000001 110.467 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.09 157.68 55.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.569 2.846 . . . . 0.57999999999999996 112.426 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -69.76 -16.79 63.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.627 -0.715 . . . . 2.4900000000000002 112.077 -171.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -20.53 45.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.441 -0.345 . . . . 1.27 110.881 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -105.65 -46.79 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.449 . . . . 1.8600000000000001 110.782 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.726 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 47.2 ttm -152.07 80.59 1.26 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.296 0.57 . . . . 1.3200000000000001 110.102 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.47 158.2 19.36 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.795 -0.716 . . . . 0.14999999999999999 111.431 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.421 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 82.1 m-70 -131.27 151.46 51.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.357 -0.537 . . . . 0.16 111.058 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.729 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 30.3 t30 -151.71 136.0 16.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.263 -0.881 . . . . 1.48 109.078 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -111.49 115.56 29.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.047 0.451 . . . . 1.05 110.038 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 20.5 m -114.6 146.41 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.803 -0.635 . . . . 2.1299999999999999 110.528 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.0 mt -114.59 117.54 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.27 -0.423 . . . . 1.3100000000000001 109.868 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.56 172.72 12.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 1.0900000000000001 110.801 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -70.52 139.54 51.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.736 -0.665 . . . . 2.0499999999999998 110.381 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.87 -57.7 4.67 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.186 0.81 . . . . 1.25 113.186 -172.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -85.37 0.99 50.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.84 0.311 . . . . 2.8900000000000001 111.84 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -100.73 -7.88 23.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 2.1499999999999999 110.082 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 mmt -54.0 -35.44 61.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.581 -0.736 . . . . 1.1599999999999999 111.929 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.83 -44.92 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 2.27 110.822 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.28 -31.09 64.03 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.929 -0.653 . . . . 0.70999999999999996 111.533 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.91 -46.51 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.216 . . . . 1.23 110.536 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -65.79 -40.84 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.543 0.211 . . . . 0.60999999999999999 110.74 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -58.27 -54.87 42.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 3.5699999999999998 110.848 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.33 -15.44 59.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 2.2799999999999998 111.0 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.05 -48.16 8.63 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.118 -0.563 . . . . 0.54000000000000004 111.931 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.1 -32.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 1.6299999999999999 109.877 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.11 16.45 33.16 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.649 -0.705 . . . . 0.62 112.243 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.49 43.31 2.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.211 0.529 . . . . 1.0 110.161 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.62 -30.93 69.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.591 -0.731 . . . . 1.29 111.568 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.37 -11.95 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 2.4399999999999999 111.531 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.5 t -135.06 60.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.507 0.67 . . . . 2.0600000000000001 111.484 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.92 20.73 11.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.366 -0.834 . . . . 1.6599999999999999 112.898 170.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 60.77 33.34 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 1.2 111.257 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.281 -0.637 . . . . 2.0299999999999998 109.281 174.224 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 121.228 0.537 . . . . 2.7599999999999998 110.08 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.25 123.06 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.723 -0.672 . . . . 1.45 109.675 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -75.63 -42.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.126 0.489 . . . . 1.51 110.213 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.27 151.7 21.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.566 -0.743 . . . . 1.1499999999999999 109.915 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -154.95 140.47 17.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.887 0.375 . . . . 2.5299999999999998 111.138 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.401 HG22 HD22 ' A' ' 97' ' ' LEU . 32.2 p -83.18 -179.27 7.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.94999999999999996 109.431 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -105.22 155.3 19.19 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.726 -0.472 . . . . 3.3199999999999998 109.726 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 tp -66.29 115.57 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 1.8999999999999999 110.758 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.3 pt -113.95 138.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 1.1000000000000001 111.737 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -140.53 164.2 26.35 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.79000000000000004 112.066 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.37 20.89 63.81 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 114.49 0.556 . . . . 1.1499999999999999 114.49 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.569 ' HA2' ' O ' ' A' ' 38' ' ' HIS . . . 103.19 5.48 46.47 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.318 -0.944 . . . . 0.80000000000000004 113.503 176.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.07 166.57 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 2.3399999999999999 111.081 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.54 157.5 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.765 -0.652 . . . . 1.8600000000000001 110.778 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.2 t -154.65 151.55 28.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.311 -0.626 . . . . 1.8600000000000001 109.311 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -130.84 157.19 43.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.833 0.349 . . . . 1.1899999999999999 110.959 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.44 ' C ' HD11 ' A' ' 97' ' ' LEU . 4.4 pp -134.51 159.32 41.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 1.1299999999999999 109.907 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 m -133.39 124.67 27.55 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.293 -0.632 . . . . 1.78 109.293 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 pp -118.07 156.38 28.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.972 0.415 . . . . 1.1599999999999999 111.593 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 102' ' ' ALA . 31.9 t70 -94.61 112.51 58.12 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 2.0800000000000001 109.461 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.22 -12.58 33.38 Favored 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.808 2.339 . . . . 0.87 113.925 -173.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.415 ' HB2' ' OD2' ' A' ' 100' ' ' ASP . . . -70.73 -25.44 62.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.776 0.322 . . . . 1.23 110.747 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -67.72 -31.09 70.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 3.5099999999999998 110.905 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.42 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -85.6 2.58 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 1.9199999999999999 111.326 -175.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.93 -14.75 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.172 -0.467 . . . . 1.3999999999999999 110.523 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -116.98 66.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.071 -0.513 . . . . 2.04 111.004 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.49 172.57 13.27 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.538 -0.839 . . . . 0.93999999999999995 112.744 174.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -99.7 121.02 40.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.149 0.5 . . . . 2.02 109.891 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.42 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 51.7 m-85 -106.33 155.44 19.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.732 -0.667 . . . . 0.87 110.842 -177.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 124' ' ' GLY . 34.2 mtmt -131.92 163.05 29.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.056 -0.52 . . . . 2.1099999999999999 109.899 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.579 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 50.1 p90 -117.85 144.09 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.967 -0.753 . . . . 0.27000000000000002 108.967 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.89 163.15 38.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.919 0.39 . . . . 0.96999999999999997 111.826 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.729 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 14.9 t -96.43 119.87 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.296 -0.865 . . . . 0.17999999999999999 108.799 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -86.57 10.25 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.051 0.389 . . . . 1.1000000000000001 112.051 -174.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -69.18 133.02 89.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.765 -0.828 . . . . 0.32000000000000001 108.765 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.32 116.61 3.27 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.708 2.272 . . . . 0.55000000000000004 112.905 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.77 -12.37 65.97 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.738 -0.665 . . . . 0.5 112.143 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -91.73 -27.32 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.86 0.318 . . . . 0.38 111.86 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.84 -41.25 58.25 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.285 -0.483 . . . . 0.60999999999999999 113.245 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.53 65.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.945 0.35 . . . . 1.5800000000000001 111.945 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.1 mt -101.32 -16.65 16.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.052 0.453 . . . . 2.6200000000000001 111.292 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.528 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 9.3 mtm -130.98 81.26 1.98 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 1.27 111.375 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.31 143.37 23.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 1.1299999999999999 109.478 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 110' ' ' LYS . . . -154.35 -176.07 26.25 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.058 -0.591 . . . . 0.31 111.952 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 22.4 tptm -103.71 136.26 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 2.0499999999999998 111.39 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -123.49 118.33 54.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.349 -0.611 . . . . 1.77 109.349 173.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -122.39 141.95 51.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.883 -0.599 . . . . 1.6799999999999999 111.347 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.46 131.34 36.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 2.0099999999999998 109.978 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.6 m -120.74 155.16 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.452 . . . . 1.1899999999999999 110.818 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 22.0 t70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.625 -0.716 . . . . 2.25 110.492 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.5 m . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.862 0.363 . . . . 0.76000000000000001 111.603 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.29 149.58 29.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.416 -0.356 . . . . 1.0700000000000001 110.586 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.8 148.21 33.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.146 -0.479 . . . . 1.0800000000000001 110.618 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 m -114.97 126.09 54.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.282 -0.417 . . . . 1.45 110.049 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.9 t -118.0 129.08 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.897 0.379 . . . . 1.54 110.38 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -100.91 130.87 46.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.065 -0.516 . . . . 1.98 110.619 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 8.7 p -116.76 137.03 52.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.64 -0.504 . . . . 1.1799999999999999 109.64 175.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.581 HD22 ' HG2' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -122.9 170.38 10.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.555 -0.293 . . . . 1.79 110.78 -175.43 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.92 2.25 18.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.113 0.412 . . . . 2.2599999999999998 112.113 -176.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -91.52 10.23 28.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 2.0899999999999999 110.722 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp 63.1 69.37 0.58 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.258 -0.883 . . . . 2.5299999999999998 112.199 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.581 ' HG2' HD22 ' A' ' 13' ' ' ASN . 13.1 pt20 -160.16 157.62 28.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.919 0.39 . . . . 2.3100000000000001 110.629 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.22 146.06 26.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.483 -0.78 . . . . 0.45000000000000001 109.065 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.53 -31.18 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 2.3100000000000001 110.787 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 t -126.02 150.99 47.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.732 -0.47 . . . . 1.27 109.732 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -103.0 -16.05 15.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.002 0.43 . . . . 2.8500000000000001 110.601 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -135.95 142.24 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.023 -0.535 . . . . 2.0600000000000001 110.095 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.87 129.05 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 1.1100000000000001 110.01 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -108.35 125.04 51.26 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.081 -0.508 . . . . 2.04 110.085 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.83 120.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.86 -0.609 . . . . 1.1000000000000001 110.434 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.4 m -81.34 120.4 24.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 1.73 111.138 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 101' ' ' PRO . 21.9 ptmt -67.83 -18.28 64.78 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.904 -0.589 . . . . 1.5600000000000001 111.171 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.52 -8.18 38.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 1.1699999999999999 111.215 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 86.2 m -97.41 140.72 31.43 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.866 -0.606 . . . . 0.48999999999999999 109.968 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.48 -31.85 67.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 3.98 110.19 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.1 144.28 25.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 2.0 109.964 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -117.3 128.82 55.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.197 -0.668 . . . . 0.39000000000000001 109.197 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 89.5 m -116.91 134.59 54.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.057 0.456 . . . . 1.04 110.91 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -122.88 125.28 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 1.03 109.83 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 m -106.92 122.32 46.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 1.02 110.771 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -97.32 124.11 41.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.866 -0.607 . . . . 1.05 110.017 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' A' ' 94' ' ' GLU . 57.1 tptt -116.16 110.06 18.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.638 -0.504 . . . . 3.0699999999999998 109.638 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' HD2' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -92.94 99.95 12.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.40999999999999998 110.321 -177.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -78.81 147.24 33.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.796 -0.638 . . . . 2.0899999999999999 109.472 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 -168.49 23.16 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.785 -0.721 . . . . 1.26 111.9 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.1 m -126.71 -24.43 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.765 0.283 . . . . 2.2000000000000002 111.765 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.63 137.2 92.78 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.063 0.459 . . . . 2.8100000000000001 111.982 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -73.15 159.63 47.05 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 123.235 2.623 . . . . 0.57999999999999996 112.254 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -63.79 -25.99 68.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.243 -0.889 . . . . 2.4900000000000002 113.169 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.5 53.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.779 0.323 . . . . 1.27 111.347 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -101.62 -52.42 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 1.8600000000000001 110.262 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.5 tpp -136.77 65.87 1.49 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.535 0.683 . . . . 1.3200000000000001 109.23 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.18 156.08 22.64 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.122 -0.945 . . . . 0.14999999999999999 111.674 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.473 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 89.2 m-70 -136.57 148.13 47.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.866 0.365 . . . . 0.16 110.702 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -140.43 167.39 22.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.892 -0.781 . . . . 1.48 108.892 168.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -130.22 110.33 11.48 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.833 -0.803 . . . . 1.05 108.833 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.612 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.3 m -109.62 142.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.84 -0.618 . . . . 2.1299999999999999 110.261 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 110' ' ' LYS . 43.5 mt -119.83 122.44 68.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.949 0.404 . . . . 1.3100000000000001 109.975 176.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.42 161.18 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.631 -0.713 . . . . 1.0900000000000001 110.643 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -68.78 123.39 20.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.495 -0.775 . . . . 2.0499999999999998 109.573 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.27 15.14 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.222 0.823 . . . . 1.25 113.222 -169.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.96 -32.37 67.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 2.8900000000000001 111.958 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 5.8 m-20 -102.98 -5.57 23.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.058 0.456 . . . . 2.1499999999999999 110.507 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.779 ' SD ' ' HB2' ' A' ' 110' ' ' LYS . 22.0 ttt -75.0 -24.33 58.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 1.1599999999999999 111.168 -175.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.85 -42.66 89.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 2.27 109.832 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.55 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.316 -0.856 . . . . 0.70999999999999996 112.222 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 59' ' ' MET . 75.9 t -72.7 -44.89 59.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.608 0.242 . . . . 1.23 110.548 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.529 ' O ' HG22 ' A' ' 67' ' ' VAL . 79.4 m-85 -62.4 -49.74 74.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.60999999999999999 110.478 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.18 -38.4 91.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.642 -0.708 . . . . 3.5699999999999998 111.257 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -73.56 -39.79 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.953 0.406 . . . . 2.2799999999999998 110.603 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.47 -30.98 77.46 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.71 -0.677 . . . . 0.54000000000000004 113.341 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 63' ' ' PHE . 81.1 t -60.17 -33.17 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.002 0.429 . . . . 1.6299999999999999 110.696 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.38 -8.29 85.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.62 112.428 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' HB3' ' OG1' ' A' ' 72' ' ' THR . . . -106.71 49.8 0.79 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.962 0.411 . . . . 1.0 110.815 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.61 -31.97 71.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 1.29 111.821 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -80.21 -17.07 53.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.19 -0.459 . . . . 2.4399999999999999 111.777 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.461 ' OG1' ' HB3' ' A' ' 69' ' ' ALA . 22.6 p -117.38 52.63 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.89 0.376 . . . . 2.0600000000000001 111.429 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 62.02 22.53 13.15 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.761 -0.654 . . . . 1.6599999999999999 112.072 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 60.04 32.27 20.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.3 0.571 . . . . 1.2 111.494 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 108.53 -0.915 . . . . 2.0299999999999998 108.53 172.171 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 58' ' ' ASP . 78.9 mtt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.097 0.475 . . . . 2.7599999999999998 110.244 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.7 t -87.14 128.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.712 -0.676 . . . . 1.45 110.408 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.99 -40.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 1.51 110.228 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.96 150.5 22.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.758 -0.656 . . . . 1.1499999999999999 110.47 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -155.29 142.99 19.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 2.5299999999999998 111.031 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.41 HG22 HD23 ' A' ' 97' ' ' LEU . 72.0 p -91.01 167.9 12.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.532 -0.544 . . . . 0.94999999999999996 109.532 172.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -93.85 161.51 14.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.335 -0.393 . . . . 3.3199999999999998 109.985 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.05 115.55 6.21 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.223 0.535 . . . . 1.8999999999999999 110.74 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 20.0 pt -114.33 137.61 47.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.396 -0.82 . . . . 1.1000000000000001 111.003 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.42 -173.09 48.23 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.73 -0.668 . . . . 0.79000000000000004 112.122 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.57 111.52 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.102 -0.57 . . . . 1.1499999999999999 112.755 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.94 -16.95 22.82 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.182 -0.532 . . . . 0.80000000000000004 112.09 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.428 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 43.1 mt-10 -86.87 171.02 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 2.3399999999999999 111.635 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.411 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 11.3 pt-20 -153.97 148.19 25.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.547 -0.751 . . . . 1.8600000000000001 110.328 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -154.46 148.96 26.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.261 -0.644 . . . . 1.8600000000000001 109.261 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -122.96 159.25 28.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.951 0.405 . . . . 1.1899999999999999 111.349 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.444 HD13 ' C ' ' A' ' 97' ' ' LEU . 4.2 pp -130.94 162.54 29.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.766 -0.652 . . . . 1.1299999999999999 109.706 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -139.78 133.2 30.08 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.234 -0.284 . . . . 1.78 110.234 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.78 161.96 34.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 1.1599999999999999 111.378 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -97.33 114.85 65.42 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 115.842 -0.617 . . . . 2.0800000000000001 110.071 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.431 ' HB2' ' HA ' ' A' ' 27' ' ' LYS . 50.7 Cg_exo -53.66 -26.88 39.62 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.401 2.734 . . . . 0.87 113.324 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.43 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 1.23 111.255 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -77.34 -25.64 51.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.076 0.465 . . . . 3.5099999999999998 110.817 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.59 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.9 mp -84.52 -6.67 59.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 1.9199999999999999 110.777 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.49 -3.32 42.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.861 -0.609 . . . . 1.3999999999999999 111.446 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -86.5 -16.59 36.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 2.04 112.156 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.63 -160.92 26.47 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 119.842 -1.171 . . . . 0.93999999999999995 113.162 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -94.71 120.68 35.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.56 0.695 . . . . 2.02 110.72 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 11.6 m-85 -106.47 155.07 19.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.303 -0.862 . . . . 0.87 110.497 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.779 ' HB2' ' SD ' ' A' ' 59' ' ' MET . 40.1 mtpt -126.84 162.74 25.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.201 -0.454 . . . . 2.1099999999999999 110.308 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.612 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.4 p90 -126.34 142.56 51.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.578 -0.897 . . . . 0.27000000000000002 108.578 172.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.64 167.39 23.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.053 0.454 . . . . 0.96999999999999997 111.785 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 19.9 t -99.88 119.36 38.08 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.061 -1.088 . . . . 0.17999999999999999 108.061 173.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.4 p -86.62 5.81 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.159 0.429 . . . . 1.1000000000000001 112.159 -172.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.18 125.83 89.02 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.04 -0.726 . . . . 0.32000000000000001 109.04 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.84 115.1 2.11 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.829 2.353 . . . . 0.55000000000000004 112.517 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.13 48.11 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.928 -0.653 . . . . 0.5 111.814 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.8 m170 -107.96 -30.04 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.008 0.373 . . . . 0.38 112.008 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.25 -16.66 67.25 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.24 -0.505 . . . . 0.60999999999999999 114.084 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.71 -33.55 64.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.176 0.488 . . . . 1.5800000000000001 111.388 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 66.4 tp -107.6 -42.0 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.979 0.419 . . . . 2.6200000000000001 110.78 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 118' ' ' HIS . 10.4 mtm -82.01 74.92 8.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 1.27 111.129 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -150.96 143.45 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.714 -0.675 . . . . 1.1299999999999999 110.242 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -155.66 -176.03 27.36 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.927 -0.579 . . . . 0.31 111.673 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.427 ' HD2' ' HG2' ' A' ' 110' ' ' LYS . 12.3 mmmm -105.77 140.71 38.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 2.0499999999999998 111.916 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.3 t -107.96 111.74 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 1.77 108.688 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.4 m -99.28 124.72 44.59 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.162 -0.472 . . . . 1.6799999999999999 110.934 -173.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 27' ' ' LYS . 1.4 tm? -85.12 108.03 17.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.189 -0.671 . . . . 2.0099999999999998 109.189 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 23.0 m -108.53 173.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.266 -0.425 . . . . 1.1899999999999999 110.731 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 2.25 111.147 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 80.6 m . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.351 0.596 . . . . 0.76000000000000001 109.564 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.76 159.92 43.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 1.0700000000000001 110.366 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.9 141.38 26.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.143 -0.48 . . . . 1.0800000000000001 109.958 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.2 m -111.69 119.4 38.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.991 0.424 . . . . 1.45 110.787 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.74 140.27 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.789 -0.642 . . . . 1.54 109.647 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -114.41 134.03 55.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.895 0.378 . . . . 1.98 110.783 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 p -118.96 136.68 53.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.728 -0.669 . . . . 1.1799999999999999 109.507 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -116.35 172.19 7.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.591 0.234 . . . . 1.79 111.265 -175.465 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.79 -5.7 32.15 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.08 -0.509 . . . . 2.2599999999999998 111.18 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.9 15.98 11.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.029 0.443 . . . . 2.0899999999999999 110.866 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 87.7 mtp 58.56 61.73 2.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.173 -0.921 . . . . 2.5299999999999998 112.59 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HG2' HD22 ' A' ' 13' ' ' ASN . 19.2 pt20 -166.76 155.82 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.991 0.424 . . . . 2.3100000000000001 111.233 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -91.56 153.13 19.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.935 -1.03 . . . . 0.45000000000000001 108.734 172.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -77.51 -5.19 49.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.702 0.286 . . . . 2.3100000000000001 111.204 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 t -151.08 149.19 29.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 1.27 110.42 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -114.91 9.38 16.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.306 -0.406 . . . . 2.8500000000000001 110.582 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.72 127.58 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 2.0600000000000001 111.056 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.52 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 92.9 mt -132.92 125.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.029 -0.532 . . . . 1.1100000000000001 109.743 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -107.91 124.12 49.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.113 -0.494 . . . . 2.04 110.398 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -102.71 117.13 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.878 -0.601 . . . . 1.1000000000000001 109.721 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -78.75 122.87 26.57 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.175 -0.466 . . . . 1.73 110.556 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -73.77 -2.05 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 1.5600000000000001 110.792 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.43 -4.24 58.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 1.1699999999999999 110.12 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 101' ' ' PRO . 63.7 m -111.34 145.61 38.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.661 -0.7 . . . . 0.48999999999999999 109.405 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.58 -27.88 19.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 3.98 110.923 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.4 127.43 31.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.392 -0.367 . . . . 2.0 110.313 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.0 t80 -124.51 122.54 37.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.601 -0.518 . . . . 0.39000000000000001 109.601 178.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 82.0 m -110.52 131.26 55.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.165 -0.47 . . . . 1.04 111.247 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.02 122.89 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.111 -0.495 . . . . 1.03 109.72 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -108.62 124.47 50.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.162 -0.472 . . . . 1.02 110.608 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.07 123.03 45.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.158 -0.474 . . . . 1.05 110.298 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -110.4 109.93 20.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.651 -0.5 . . . . 3.0699999999999998 109.651 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.45 91.64 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 0.40999999999999998 109.511 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 13' ' ' ASN . 20.0 p -76.09 119.95 20.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.088 -0.96 . . . . 2.0899999999999999 109.413 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.01 -175.02 34.61 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.711 -0.757 . . . . 1.26 111.848 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -138.54 25.93 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 2.2000000000000002 111.686 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.07 146.54 32.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 2.8100000000000001 111.013 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.13 149.0 51.38 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 123.115 2.544 . . . . 0.57999999999999996 112.676 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.38 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.535 -0.757 . . . . 2.4900000000000002 111.839 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.51 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 1.27 111.645 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -129.22 -34.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.463 -0.335 . . . . 1.8600000000000001 110.914 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 42.8 tpp -118.24 48.78 1.35 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.792 0.806 . . . . 1.3200000000000001 109.744 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.15 151.84 21.3 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 110.433 -1.067 . . . . 0.14999999999999999 110.433 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.455 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 87.8 m-70 -132.69 148.69 52.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.587 -0.445 . . . . 0.16 110.48 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.702 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 21.0 t30 -148.17 135.63 20.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.482 -0.781 . . . . 1.48 109.19 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 tt -107.19 112.99 26.14 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.584 -0.525 . . . . 1.05 109.584 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 11.6 p -110.44 145.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 2.1299999999999999 110.301 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 83' ' ' VAL . 28.6 mm -112.29 119.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 1.3100000000000001 109.669 177.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.75 169.85 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.135 -0.484 . . . . 1.0900000000000001 110.231 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -69.43 145.9 52.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.704 -0.225 . . . . 2.0499999999999998 110.936 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.51 -54.02 38.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.869 0.366 . . . . 1.25 111.283 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.34 -14.49 62.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 2.8900000000000001 111.919 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -99.89 -8.07 24.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.294 0.569 . . . . 2.1499999999999999 110.117 -174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mmt -59.07 -32.65 69.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.45 -0.795 . . . . 1.1599999999999999 111.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.14 -43.11 87.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 2.27 110.774 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.08 -30.82 67.17 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.744 -0.741 . . . . 0.70999999999999996 111.837 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.12 -46.31 72.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.456 0.17 . . . . 1.23 110.668 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.53 ' O ' HG22 ' A' ' 67' ' ' VAL . 29.6 m-85 -66.76 -44.07 82.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.726 -0.215 . . . . 0.60999999999999999 111.013 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.34 -54.6 44.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.764 0.316 . . . . 3.5699999999999998 111.326 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.19 -16.38 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.926 0.393 . . . . 2.2799999999999998 110.834 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.27 -42.73 41.47 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.718 -0.673 . . . . 0.54000000000000004 112.279 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 63' ' ' PHE . 58.9 t -58.53 -29.18 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 1.6299999999999999 110.922 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.89 8.22 80.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.809 -0.71 . . . . 0.62 112.703 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -124.16 53.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.043 0.449 . . . . 1.0 110.718 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' HA ' ' CE1' ' A' ' 74' ' ' TYR . . . -57.16 -37.91 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.62 . . . . 1.29 112.001 -175.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.05 -18.02 59.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 2.4399999999999999 111.404 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.525 ' O ' HG21 ' A' ' 75' ' ' VAL . 2.9 m -112.48 49.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.117 0.484 . . . . 2.0600000000000001 110.538 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' HA ' ' HG ' ' A' ' 88' ' ' LEU . 34.4 m-20 59.52 19.97 8.43 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.506 -0.77 . . . . 1.6599999999999999 112.205 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD2' HD13 ' A' ' 88' ' ' LEU . 62.6 m-85 59.89 39.45 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 1.2 111.195 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.525 HG21 ' O ' ' A' ' 72' ' ' THR . 28.0 m . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 109.384 -0.598 . . . . 2.0299999999999998 109.384 172.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 121.207 0.527 . . . . 2.7599999999999998 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -102.45 120.08 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 1.45 110.301 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 53' ' ' ILE . 10.7 p -91.33 -26.12 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.939 0.4 . . . . 1.51 110.199 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.45 148.07 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 1.1499999999999999 110.459 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -156.44 151.19 25.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 2.5299999999999998 110.659 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.0 p -88.57 -177.92 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.6 . . . . 0.94999999999999996 109.819 173.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -95.83 151.69 19.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.905 -0.405 . . . . 3.3199999999999998 109.905 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.47 ' HG ' ' HA ' ' A' ' 73' ' ' ASP . 14.3 mt -61.0 108.68 0.91 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.365 -0.379 . . . . 1.8999999999999999 110.23 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.1 pt -111.45 136.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 116.06 -0.518 . . . . 1.1000000000000001 111.779 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.92 -172.77 49.03 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.403 -0.817 . . . . 0.79000000000000004 111.842 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.27 122.87 28.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.958 -0.639 . . . . 1.1499999999999999 112.839 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.74 2.22 63.16 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.80000000000000004 112.277 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -105.15 165.99 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.8 0.333 . . . . 2.3399999999999999 111.324 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -143.43 154.16 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 1.8600000000000001 110.593 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 t -154.42 149.6 26.98 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.378 -0.601 . . . . 1.8600000000000001 109.378 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -132.13 157.88 43.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.88 0.371 . . . . 1.1899999999999999 111.254 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 97' ' ' LEU . 4.6 pp -138.32 156.11 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 1.1299999999999999 109.568 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.1 m -131.8 132.39 43.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.704 -0.48 . . . . 1.78 109.704 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.26 155.41 48.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.006 0.431 . . . . 1.1599999999999999 111.468 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.59 119.2 71.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 2.0800000000000001 109.171 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.621 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 53.2 Cg_exo -53.31 -32.49 61.51 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.416 2.744 . . . . 0.87 113.895 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.07 -13.4 62.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.954 0.406 . . . . 1.23 111.308 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -85.13 0.55 51.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.463 . . . . 3.5099999999999998 110.423 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 109' ' ' TYR . 10.9 mp -112.72 18.93 17.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 1.9199999999999999 110.274 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.74 1.98 53.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.934 -0.576 . . . . 1.3999999999999999 111.423 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.484 ' HB2' ' HH ' ' A' ' 109' ' ' TYR . 4.0 m-20 -86.79 19.38 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.796 0.295 . . . . 2.04 111.796 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.38 -149.23 18.58 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.145 -1.026 . . . . 0.93999999999999995 113.152 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.72 121.39 29.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.988 0.423 . . . . 2.02 110.571 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 104' ' ' LEU . 7.8 m-85 -106.52 153.36 22.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.787 -0.642 . . . . 0.87 110.669 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -130.22 156.55 44.42 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.756 -0.656 . . . . 2.1099999999999999 109.489 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 47.8 p90 -116.44 135.46 53.82 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.674 -1.232 . . . . 0.27000000000000002 107.674 170.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.72 160.46 43.83 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.438 -0.505 . . . . 0.96999999999999997 111.48 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.702 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 17.4 t -94.44 116.23 28.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.921 -1.036 . . . . 0.17999999999999999 108.666 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.0 p -84.13 9.56 12.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.031 0.382 . . . . 1.1000000000000001 112.031 -173.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -68.42 131.14 91.82 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.082 -0.711 . . . . 0.32000000000000001 109.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.48 114.67 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.977 2.451 . . . . 0.55000000000000004 112.9 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.89 -20.83 46.21 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.5 111.824 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -83.97 -40.32 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.554 0.216 . . . . 0.38 110.956 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.87 -21.0 58.07 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-N 116.22 -0.445 . . . . 0.60999999999999999 113.949 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -26.44 67.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 1.5800000000000001 111.264 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 tp -122.29 -39.78 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 2.6200000000000001 111.124 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 5.8 mtm -80.16 77.88 6.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.492 . . . . 1.27 111.342 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -152.35 145.46 24.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.516 -0.765 . . . . 1.1299999999999999 109.92 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.51 -171.94 15.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.043 -0.598 . . . . 0.31 111.67 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -105.27 130.04 53.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.796 0.332 . . . . 2.0499999999999998 111.203 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 4.7 p -121.76 116.81 50.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.814 -0.81 . . . . 1.77 108.814 173.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.3 m -121.16 138.51 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.812 -0.631 . . . . 1.6799999999999999 111.667 -170.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.39 118.82 20.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.634 -0.712 . . . . 2.0099999999999998 109.172 173.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 30.1 m -119.49 163.25 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.14 0.495 . . . . 1.1899999999999999 111.047 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.704 -0.68 . . . . 2.25 110.117 178.627 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 62.8 m . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.311 0.577 . . . . 0.76000000000000001 109.856 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.25 143.92 24.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.605 -0.725 . . . . 1.0700000000000001 110.2 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.13 149.35 42.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.175 -0.466 . . . . 1.0800000000000001 110.427 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.9 m -120.74 138.36 54.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.316 -0.402 . . . . 1.45 110.297 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.67 135.78 56.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.956 -0.566 . . . . 1.54 110.142 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.515 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 34.6 tt0 -104.42 141.79 35.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.962 -0.563 . . . . 1.98 110.604 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -125.1 136.32 53.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.759 -0.655 . . . . 1.1799999999999999 109.554 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -117.3 -172.78 2.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.45 -0.341 . . . . 1.79 110.786 -174.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -84.9 9.37 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.309 . . . . 2.2599999999999998 111.308 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -102.9 12.48 36.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.885 0.374 . . . . 2.0899999999999999 110.426 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.419 ' HB3' ' HE3' ' A' ' 122' ' ' MET . 67.3 mtt 61.59 53.87 3.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.249 -0.887 . . . . 2.5299999999999998 111.735 176.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -152.63 157.08 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.939 0.399 . . . . 2.3100000000000001 111.098 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 57.6 m-85 -101.53 154.3 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.031 -1.1 . . . . 0.45000000000000001 108.031 169.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 11' ' ' GLU . 93.8 m-20 -84.07 18.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.728 -0.389 . . . . 2.3100000000000001 111.483 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -166.56 141.85 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.151 -0.477 . . . . 1.27 109.886 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -110.83 8.41 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.045 0.45 . . . . 2.8500000000000001 110.244 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -134.07 128.23 33.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.834 -0.621 . . . . 2.0600000000000001 111.256 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.7 mt -131.43 126.9 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.655 -0.702 . . . . 1.1100000000000001 109.201 172.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -108.11 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.034 0.445 . . . . 2.04 110.838 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.2 t -97.77 119.26 45.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.941 -0.572 . . . . 1.1000000000000001 109.67 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -85.05 117.9 24.3 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.183 -0.462 . . . . 1.73 110.547 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -69.55 -17.59 63.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 1.5600000000000001 110.834 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 1.53 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.891 -0.595 . . . . 1.1699999999999999 110.882 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 71.8 m -105.71 139.02 40.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.921 -0.582 . . . . 0.48999999999999999 109.571 177.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.83 -45.61 88.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.99 -0.55 . . . . 3.98 111.007 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.41 149.48 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 2.0 109.899 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 43.0 t80 -122.02 128.57 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.674 0.273 . . . . 0.39000000000000001 110.52 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 90.8 m -116.11 133.04 56.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.04 0.447 . . . . 1.04 111.309 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -117.28 130.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.993 -0.549 . . . . 1.03 109.994 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.1 m -112.96 126.12 55.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 1.02 110.866 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.6 tp -103.69 123.79 47.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.463 . . . . 1.05 109.929 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -111.84 113.44 25.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.27 -0.423 . . . . 3.0699999999999998 110.537 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.59 97.19 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.163 0.506 . . . . 0.40999999999999998 109.793 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -80.8 -1.37 42.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.31 -0.859 . . . . 2.0899999999999999 111.446 -175.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -91.15 124.73 7.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.682 -0.77 . . . . 1.26 112.073 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 m -81.86 66.83 7.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.419 0.628 . . . . 2.2000000000000002 110.763 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -135.91 140.32 33.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.528 -0.76 . . . . 2.8100000000000001 109.62 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.86 150.4 88.47 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.016 2.478 . . . . 0.57999999999999996 112.152 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -67.74 -18.95 65.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 2.4900000000000002 112.108 -169.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.91 -11.82 56.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.822 0.344 . . . . 1.27 111.297 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -110.91 -49.1 3.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 1.8600000000000001 110.498 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.9 tpp -137.5 62.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 1.3200000000000001 109.543 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.04 153.73 22.05 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.368 -0.833 . . . . 0.14999999999999999 111.184 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 90.1 m-70 -135.38 148.15 49.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.777 0.323 . . . . 0.16 110.53 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.4 p-10 -146.22 155.6 42.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 1.48 109.529 173.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 9.9 tt -116.46 111.16 19.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.681 -0.488 . . . . 1.05 109.681 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 61.3 t -110.99 135.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.56 -0.745 . . . . 2.1299999999999999 110.698 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.68 122.95 71.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 116.358 -0.383 . . . . 1.3100000000000001 110.871 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.484 ' HB1' ' SD ' ' A' ' 59' ' ' MET . . . -146.07 167.06 24.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.824 -0.625 . . . . 1.0900000000000001 110.33 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.77 142.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.061 0.458 . . . . 2.0499999999999998 110.695 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.17 -26.12 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.302 -0.863 . . . . 1.25 112.415 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.5 -17.05 49.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.855 0.317 . . . . 2.8900000000000001 111.855 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 16.8 m-20 -123.96 11.5 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.797 0.295 . . . . 2.1499999999999999 111.797 -177.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.484 ' SD ' ' HB1' ' A' ' 54' ' ' ALA . 13.6 tpt -66.6 -37.35 84.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.381 -0.372 . . . . 1.1599999999999999 111.042 -175.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 27.8 t70 -63.2 -41.0 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 2.27 110.847 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.98 -31.01 79.52 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.70999999999999996 111.786 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 58' ' ' ASP . 74.4 t -62.61 -41.89 93.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.646 0.26 . . . . 1.23 110.701 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -64.39 -35.11 79.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.60999999999999999 110.608 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 73.8 mmtt -63.97 -38.2 90.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 3.5699999999999998 110.48 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -75.31 -36.72 61.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 2.2799999999999998 110.111 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.63 65.75 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.349 -0.841 . . . . 0.54000000000000004 113.257 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.27 -17.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.259 0.552 . . . . 1.6299999999999999 110.869 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.02 6.9 54.39 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.811 -0.709 . . . . 0.62 112.916 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.4 58.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 1.0 111.667 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -13.84 62.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 1.29 110.778 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.53 -45.74 73.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.336 -0.847 . . . . 2.4399999999999999 111.79 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.1 p -102.22 -89.92 0.36 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.051 0.453 . . . . 2.0600000000000001 111.491 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -143.65 35.09 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 1.6599999999999999 109.193 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.453 ' CD2' HD12 ' A' ' 88' ' ' LEU . 71.9 m-85 62.23 46.53 6.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.456 -0.793 . . . . 1.2 110.134 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 114.471 -1.24 . . . . 2.0299999999999998 108.709 175.891 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 98.6 mtt180 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 121.353 0.597 . . . . 2.7599999999999998 110.039 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.89 112.32 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.347 -0.842 . . . . 1.45 109.431 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.14 -39.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.171 -0.468 . . . . 1.51 110.584 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.37 152.94 31.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.956 -0.566 . . . . 1.1499999999999999 110.501 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.445 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 10.8 p80 -163.18 138.43 6.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.492 -0.322 . . . . 2.5299999999999998 110.748 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.6 p -85.97 159.06 19.73 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.756 -0.461 . . . . 0.94999999999999996 109.756 174.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -81.73 153.3 26.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.23 -0.441 . . . . 3.3199999999999998 109.842 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 74' ' ' TYR . 26.5 mt -59.66 129.74 43.4 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.073 -0.512 . . . . 1.8999999999999999 110.895 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 pt -127.61 137.29 58.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.911 -0.586 . . . . 1.1000000000000001 111.284 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.9 -147.98 20.54 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.48 -0.782 . . . . 0.79000000000000004 112.279 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -67.28 123.46 20.69 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.131 -0.557 . . . . 1.1499999999999999 112.914 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.88 20.88 77.47 Favored Glycine 0 CA--C 1.51 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.80000000000000004 112.353 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -115.71 153.02 32.11 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.736 -0.468 . . . . 2.3399999999999999 109.736 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.53 147.73 39.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.971 0.415 . . . . 1.8600000000000001 110.253 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 p -133.85 150.74 51.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.087 -0.506 . . . . 1.8600000000000001 109.853 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.4 p -141.58 146.46 36.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.855 0.359 . . . . 1.1899999999999999 110.684 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 pp -129.43 153.16 48.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.051 -0.522 . . . . 1.1299999999999999 109.758 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.6 m -126.54 117.62 23.2 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.288 -0.634 . . . . 1.78 109.288 174.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.26 160.4 19.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.04 -0.527 . . . . 1.1599999999999999 111.182 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.409 ' OD2' ' HB2' ' A' ' 102' ' ' ALA . 16.7 t70 -91.92 115.74 65.17 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.269 -0.878 . . . . 2.0800000000000001 110.405 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -56.79 -24.96 58.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.977 2.451 . . . . 0.87 113.433 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.409 ' HB2' ' OD2' ' A' ' 100' ' ' ASP . . . -71.91 -24.84 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.604 0.24 . . . . 1.23 110.931 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -24.95 62.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.11 0.481 . . . . 3.5099999999999998 110.156 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.506 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 54.1 mt -86.8 -0.06 55.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.492 . . . . 1.9199999999999999 110.648 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.35 40.78 0.9 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.835 -0.62 . . . . 1.3999999999999999 110.692 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -137.05 24.94 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 2.04 110.479 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.08 -157.36 24.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.909 -1.138 . . . . 0.93999999999999995 113.591 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.07 130.18 53.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 2.02 110.01 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.506 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 36.3 m-85 -107.47 154.51 21.25 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.614 -0.721 . . . . 0.87 111.622 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -119.61 151.68 38.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.648 -0.706 . . . . 2.1099999999999999 109.763 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.584 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 33.8 p90 -123.44 142.66 50.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.958 -0.756 . . . . 0.27000000000000002 108.958 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.76 169.74 20.87 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.951 0.405 . . . . 0.96999999999999997 111.2 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 31.3 t -98.99 126.26 44.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.37 -0.974 . . . . 0.17999999999999999 108.37 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 p -100.53 12.37 37.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 1.1000000000000001 111.728 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.41 137.86 97.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.035 -0.728 . . . . 0.32000000000000001 109.035 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.87 114.38 1.76 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.819 2.346 . . . . 0.55000000000000004 113.001 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.94 -14.57 62.64 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.496 -0.775 . . . . 0.5 111.896 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.404 ' CG ' ' HE1' ' A' ' 122' ' ' MET . 13.6 m170 -92.42 -27.54 17.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 0.38 111.366 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.66 -15.71 54.43 Favored Glycine 0 C--N 1.33 0.236 0 CA-C-N 116.116 -0.493 . . . . 0.60999999999999999 113.505 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.72 -20.45 27.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.532 -0.393 . . . . 1.5800000000000001 111.422 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -109.97 -52.3 2.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.954 0.353 . . . . 2.6200000000000001 111.954 -172.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.547 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 5.0 mtm -85.38 92.6 8.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.792 0.33 . . . . 1.27 111.056 -175.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -140.34 145.5 37.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.955 -0.566 . . . . 1.1299999999999999 110.481 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -158.87 179.95 34.14 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.397 -0.681 . . . . 0.31 111.397 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -114.98 139.29 49.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.995 0.398 . . . . 2.0499999999999998 110.797 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.5 p -118.22 113.96 43.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.624 0.726 . . . . 1.77 109.257 174.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.2 m -109.02 136.29 48.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.467 -0.788 . . . . 1.6799999999999999 111.244 -170.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.9 tp -82.07 125.99 31.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.291 -0.633 . . . . 2.0099999999999998 109.291 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 35.4 m -123.57 176.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.507 -0.315 . . . . 1.1899999999999999 110.544 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 2.25 111.365 -179.4 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.095 -0.335 . . . . 3.7200000000000002 110.095 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.403 HG22 ' C ' ' A' ' 130' ' ' ASP . 54.6 m -137.1 -36.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.937 0.398 . . . . 4.0199999999999996 111.457 -177.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.39 19.84 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 3.0600000000000001 111.171 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.61 43.66 0.91 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.55 -0.833 . . . . 1.78 112.257 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -161.67 92.98 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.548 0.69 . . . . 2.8799999999999999 111.225 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 76.5 m -104.09 3.52 33.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.714 -0.675 . . . . 0.76000000000000001 110.06 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.05 155.87 40.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.5 -0.773 . . . . 1.0700000000000001 110.435 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.84 156.43 45.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.903 -0.589 . . . . 1.0800000000000001 110.028 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m -126.46 123.58 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.004 0.43 . . . . 1.45 110.724 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.03 135.61 49.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.8 -0.636 . . . . 1.54 109.901 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -110.3 126.82 54.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.429 -0.35 . . . . 1.98 110.447 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 36.1 p -123.1 139.14 54.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 1.1799999999999999 109.935 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -123.41 177.85 5.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.185 -0.302 . . . . 1.79 110.185 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.02 27.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.285 0.564 . . . . 2.2599999999999998 110.838 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -106.42 9.47 31.73 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.409 -0.96 . . . . 2.0899999999999999 108.409 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.8 mpp? 64.7 64.39 0.67 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.157 -1.383 . . . . 2.5299999999999998 111.863 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -159.97 155.51 25.59 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.042 0.448 . . . . 2.3100000000000001 111.725 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 29.2 m-85 -108.45 151.87 25.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.211 -0.904 . . . . 0.45000000000000001 108.665 169.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -81.58 2.97 26.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.782 0.325 . . . . 2.3100000000000001 111.286 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -157.23 142.79 17.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.939 -0.393 . . . . 1.27 109.939 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -114.49 4.81 15.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.462 0.649 . . . . 2.8500000000000001 109.546 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -138.22 125.11 21.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.386 -0.825 . . . . 2.0600000000000001 110.425 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 87.2 mt -125.6 120.96 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.216 0.531 . . . . 1.1100000000000001 109.783 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.45 114.41 28.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.754 -0.657 . . . . 2.04 110.356 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.82 125.13 46.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.441 -0.8 . . . . 1.1000000000000001 110.226 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -81.31 128.63 34.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.758 -0.656 . . . . 1.73 110.805 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -75.97 -1.81 27.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 1.5600000000000001 110.539 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.27 -5.71 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 1.1699999999999999 110.266 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 60.4 m -104.11 139.74 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.588 -0.733 . . . . 0.48999999999999999 110.161 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -69.85 -46.15 66.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.507 -0.553 . . . . 3.98 109.507 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.47 149.9 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.371 -0.831 . . . . 2.0 109.122 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -120.68 128.19 52.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.965 -0.383 . . . . 0.39000000000000001 109.965 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 38.2 m -103.26 133.0 49.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.267 -0.424 . . . . 1.04 110.746 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -121.17 120.67 62.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 109.869 -0.419 . . . . 1.03 109.869 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -106.61 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.012 -0.54 . . . . 1.02 110.313 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -103.76 128.77 51.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.215 -0.448 . . . . 1.05 109.83 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -121.78 115.37 22.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.8 -0.444 . . . . 3.0699999999999998 109.8 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.3 t60 -88.03 92.29 9.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.224 0.535 . . . . 0.40999999999999998 109.893 -178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.4 p -85.06 77.18 10.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 2.0899999999999999 110.864 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.26 -162.58 10.96 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.614 -0.721 . . . . 1.26 111.697 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -127.01 1.67 6.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 2.2000000000000002 111.366 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -95.9 134.65 23.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.967 0.413 . . . . 2.8100000000000001 111.545 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.95 159.17 51.03 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.328 2.686 . . . . 0.57999999999999996 111.996 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -61.89 -24.55 67.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.367 -0.833 . . . . 2.4900000000000002 112.867 -169.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.68 43.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.845 0.355 . . . . 1.27 111.598 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -102.56 -45.04 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 1.8600000000000001 110.038 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.5 tpp -144.93 73.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 1.3200000000000001 109.436 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.66 150.33 19.82 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.357 -0.838 . . . . 0.14999999999999999 111.784 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.461 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 81.3 m-70 -132.71 149.03 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.816 -0.354 . . . . 0.16 110.606 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -141.54 166.48 24.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.969 -0.752 . . . . 1.48 108.969 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -126.48 110.61 13.48 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.382 -0.599 . . . . 1.05 109.382 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 64.5 t -111.87 130.05 66.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.454 -0.794 . . . . 2.1299999999999999 110.478 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -109.57 122.21 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 1.3100000000000001 110.105 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.5 ' CB ' HG21 ' A' ' 62' ' ' VAL . . . -147.26 165.57 29.69 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.723 -0.671 . . . . 1.0900000000000001 110.974 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -69.29 126.15 28.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.256 -0.884 . . . . 2.0499999999999998 109.279 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.9 -36.48 70.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.523 -0.762 . . . . 1.25 112.267 -171.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.98 -25.01 68.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 2.8900000000000001 110.911 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.34 4.75 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 2.1499999999999999 110.864 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.468 ' SD ' ' HB1' ' A' ' 54' ' ' ALA . 8.4 tpt -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 1.1599999999999999 111.152 -172.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.16 -44.66 96.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 2.27 110.927 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.2 -28.09 73.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.859 -0.686 . . . . 0.70999999999999996 111.627 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 HG21 ' CB ' ' A' ' 54' ' ' ALA . 75.7 t -67.99 -49.91 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.256 . . . . 1.23 110.659 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.475 ' O ' HG21 ' A' ' 67' ' ' VAL . 57.0 m-85 -61.89 -43.06 99.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 0.60999999999999999 110.555 176.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.95 -48.03 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.76 -0.654 . . . . 3.5699999999999998 110.833 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.03 -24.96 60.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 2.2799999999999998 110.437 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.36 90.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.987 -0.625 . . . . 0.54000000000000004 112.205 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 63' ' ' PHE . 76.5 t -63.54 -33.9 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.046 0.451 . . . . 1.6299999999999999 110.809 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.97 -12.77 83.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.803 -0.713 . . . . 0.62 112.39 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.437 ' HB2' ' OG1' ' A' ' 72' ' ' THR . . . -106.85 47.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 1.0 110.617 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.12 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.658 . . . . 1.29 111.643 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -70.42 -22.2 62.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 2.4399999999999999 111.462 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.437 ' OG1' ' HB2' ' A' ' 69' ' ' ALA . 21.7 p -111.82 49.18 0.91 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.73 0.3 . . . . 2.0600000000000001 111.395 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.93 26.9 16.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.914 -0.585 . . . . 1.6599999999999999 111.835 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 62.45 25.93 15.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.602 -0.726 . . . . 1.2 111.67 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.05 130.22 71.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.996 -0.742 . . . . 2.0299999999999998 108.996 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.546 ' CD ' ' HB2' ' A' ' 78' ' ' ASP . 14.2 tmtt? -95.52 122.5 59.04 Favored Pre-proline 0 C--N 1.318 -0.799 0 N-CA-C 110.036 -0.357 . . . . 3.0800000000000001 110.036 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.75 98.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.784 2.323 . . . . 2.2999999999999998 111.253 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.546 ' HB2' ' CD ' ' A' ' 76' ' ' LYS . 12.7 t70 -161.59 -60.85 0.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.911 -0.586 . . . . 3.52 109.473 -172.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.9 47.17 22.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.641 -0.709 . . . . 3.5800000000000001 112.147 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.58 -53.15 2.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.445 . . . . 1.55 110.186 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -87.23 -23.18 24.82 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.502 -0.925 . . . . 2.7599999999999998 108.502 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.8 132.68 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.456 -1.247 . . . . 1.45 109.523 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 81.9 t -88.44 -40.28 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.478 -0.328 . . . . 1.51 110.52 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.6 153.41 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.188 -0.46 . . . . 1.1499999999999999 110.74 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -154.92 138.07 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.323 -0.399 . . . . 2.5299999999999998 111.098 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.1 p -92.72 178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.412 -0.588 . . . . 0.94999999999999996 109.412 173.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -97.18 173.79 7.06 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.537 -0.542 . . . . 3.3199999999999998 109.537 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -77.37 127.04 31.88 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.342 -0.614 . . . . 1.8999999999999999 109.342 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.15 139.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.037 0.446 . . . . 1.1000000000000001 111.455 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.11 -168.87 39.25 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.79000000000000004 112.198 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.99 103.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.236 -0.506 . . . . 1.1499999999999999 112.856 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.98 -23.1 10.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.001 -0.619 . . . . 0.80000000000000004 111.95 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -82.09 166.09 20.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.971 0.415 . . . . 2.3399999999999999 110.708 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.93 154.95 43.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 1.8600000000000001 110.339 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -144.27 159.65 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.913 -0.773 . . . . 1.8600000000000001 108.913 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.0 p -143.75 160.5 40.62 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.796 0.331 . . . . 1.1899999999999999 110.941 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 97' ' ' LEU . 4.1 pp -142.47 161.4 38.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 1.1299999999999999 110.235 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.32 126.45 35.35 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.962 -0.563 . . . . 1.78 110.052 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.403 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 3.6 pp -126.07 156.46 39.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.939 0.399 . . . . 1.1599999999999999 111.108 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.24 108.86 29.39 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.337 -0.847 . . . . 2.0800000000000001 109.999 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 99' ' ' LEU . 45.4 Cg_exo -54.45 -35.0 83.78 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.298 2.665 . . . . 0.87 113.19 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.12 -11.27 60.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.813 0.34 . . . . 1.23 111.481 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -89.89 -7.3 54.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.311 0.577 . . . . 3.5099999999999998 110.279 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 58.9 mt -88.28 4.72 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 1.9199999999999999 110.847 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.53 2.96 42.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.295 -0.411 . . . . 1.3999999999999999 111.405 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.5 -22.15 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.453 -0.339 . . . . 2.04 111.74 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 159.63 -140.9 7.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.055 -1.069 . . . . 0.93999999999999995 112.779 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -91.96 122.78 34.8 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.02 110.439 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.036 -0.529 . . . . 0.87 111.146 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -130.22 153.69 48.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.059 -0.519 . . . . 2.1099999999999999 110.259 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 43.5 p90 -115.75 144.04 44.53 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.233 -1.025 . . . . 0.27000000000000002 108.233 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.82 163.28 29.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.08 0.467 . . . . 0.96999999999999997 111.827 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 27.7 t -93.5 120.21 33.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.863 -1.062 . . . . 0.17999999999999999 108.652 173.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.7 p -89.2 17.84 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 1.1000000000000001 111.72 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -75.29 123.5 88.74 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.751 -0.833 . . . . 0.32000000000000001 108.751 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.28 116.78 3.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.748 2.299 . . . . 0.55000000000000004 112.46 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.4 -11.95 51.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.085 -0.579 . . . . 0.5 112.199 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -98.95 -39.12 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.67 0.248 . . . . 0.38 111.67 -178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.63 -23.96 59.15 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.399 0.52 . . . . 0.60999999999999999 114.399 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.14 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.991 0.396 . . . . 1.5800000000000001 111.51 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -121.03 -36.59 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 2.6200000000000001 110.436 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.44 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 30.9 mtt -86.82 72.52 10.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 1.27 110.848 -174.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -154.03 155.57 35.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 1.1299999999999999 109.65 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -151.78 -150.88 5.46 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.346 -0.93 . . . . 0.31 112.432 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -118.73 134.85 54.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.308 -0.256 . . . . 2.0499999999999998 110.308 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -127.28 120.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.45 0.643 . . . . 1.77 109.304 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -125.44 141.0 52.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.705 -0.68 . . . . 1.6799999999999999 111.577 -169.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.86 123.96 29.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.508 -0.553 . . . . 2.0099999999999998 109.508 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.09 162.51 29.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.251 0.548 . . . . 1.1899999999999999 111.335 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.403 ' C ' HG22 ' A' ' 2' ' ' THR . 9.1 t70 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.343 -0.844 . . . . 2.25 109.78 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.586 0.231 . . . . 3.7200000000000002 110.393 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -83.43 86.72 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.948 0.404 . . . . 4.0199999999999996 110.463 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.97 -3.13 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.04 -0.527 . . . . 3.0600000000000001 111.374 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.97 53.93 4.91 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.721 -0.752 . . . . 1.78 112.323 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -139.37 116.86 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.574 0.225 . . . . 2.8799999999999999 110.718 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 85.1 m -107.98 -10.91 15.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.358 0.599 . . . . 0.76000000000000001 109.97 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.34 158.95 44.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.583 -0.735 . . . . 1.0700000000000001 110.199 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.49 142.8 26.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.088 -0.506 . . . . 1.0800000000000001 110.378 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t -112.85 126.22 55.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.195 0.522 . . . . 1.45 110.01 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.24 121.79 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.629 -0.714 . . . . 1.54 109.946 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -90.31 143.23 26.95 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.539 -0.541 . . . . 1.98 109.539 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 p -128.62 135.86 49.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.408 -0.59 . . . . 1.1799999999999999 109.408 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -124.27 -166.21 1.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.912 0.387 . . . . 1.79 111.685 -171.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.53 -21.89 55.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 2.2599999999999998 111.472 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.39 15.48 0.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.576 0.584 . . . . 2.0899999999999999 112.576 -171.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.419 ' CA ' ' HE3' ' A' ' 122' ' ' MET . 65.9 mtt 58.31 51.45 8.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.238 -0.437 . . . . 2.5299999999999998 111.158 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -148.26 152.77 37.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.364 0.602 . . . . 2.3100000000000001 111.96 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -93.18 151.82 19.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.766 -1.106 . . . . 0.45000000000000001 108.17 164.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 7.59 14.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.762 0.315 . . . . 2.3100000000000001 110.756 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 p -138.51 134.0 33.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.059 -0.518 . . . . 1.27 111.317 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -105.88 -11.78 16.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 2.8500000000000001 109.872 169.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -141.05 139.23 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.855 . . . . 2.0600000000000001 109.572 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.1 mt -122.56 127.15 74.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.451 -0.574 . . . . 1.1100000000000001 109.451 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -97.79 106.03 18.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.144 0.497 . . . . 2.04 110.975 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.1 t -96.8 119.01 44.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.568 -0.742 . . . . 1.1000000000000001 109.883 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -79.81 125.92 30.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.254 -0.43 . . . . 1.73 110.743 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -79.93 1.79 25.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 1.5600000000000001 110.556 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.16 -6.63 59.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 1.1699999999999999 110.143 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.6 m -104.74 154.36 20.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.593 -0.73 . . . . 0.48999999999999999 109.781 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -89.34 -31.45 17.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.092 0.472 . . . . 3.98 110.11 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.03 131.26 34.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.939 -0.573 . . . . 2.0 109.82 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -111.77 127.67 55.87 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.239 -0.652 . . . . 0.39000000000000001 109.239 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 26.3 m -106.9 124.52 49.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.39 -0.368 . . . . 1.04 111.143 -175.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 96' ' ' SER . 67.6 mt -111.91 122.08 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.45 -0.341 . . . . 1.03 110.103 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 m -108.58 127.53 54.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.051 -0.522 . . . . 1.02 110.391 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.9 tp -103.3 128.96 50.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.149 -0.478 . . . . 1.05 109.889 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -117.81 108.26 15.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.37 -0.377 . . . . 3.0699999999999998 110.211 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.75 92.48 5.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.40999999999999998 109.886 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.2 p -74.89 -36.29 62.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.501 -0.772 . . . . 2.0899999999999999 111.967 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.3 127.2 38.72 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.84 -0.618 . . . . 1.26 112.799 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 p -75.08 59.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.143 0.497 . . . . 2.2000000000000002 111.698 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.465 ' HB3' ' HB3' ' A' ' 47' ' ' MET . 19.6 mm-40 -121.95 132.07 24.31 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.916 -0.584 . . . . 2.8100000000000001 110.241 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.69 145.66 91.47 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.699 2.266 . . . . 0.57999999999999996 111.68 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -67.77 -19.47 65.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.989 -0.55 . . . . 2.4900000000000002 112.048 -171.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.31 59.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 1.27 111.049 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -112.57 -51.77 2.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.314 -0.403 . . . . 1.8600000000000001 110.813 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 45.0 tpp -134.18 64.92 1.59 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.298 0.571 . . . . 1.3200000000000001 109.768 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.8 152.99 22.79 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 110.65 -0.98 . . . . 0.14999999999999999 110.65 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.466 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 83.7 m-70 -133.2 146.61 51.66 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.59 -0.444 . . . . 0.16 110.387 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.1 p-10 -144.53 152.88 41.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.111 -0.7 . . . . 1.48 109.111 173.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 tt -115.57 112.06 21.62 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.564 -0.532 . . . . 1.05 109.564 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 5.9 m -111.46 146.29 16.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.604 -0.726 . . . . 2.1299999999999999 110.307 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.3 mt -119.59 116.69 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.588 -0.523 . . . . 1.3100000000000001 109.588 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -140.92 167.79 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.462 -0.79 . . . . 1.0900000000000001 110.592 -174.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -74.54 131.75 41.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.711 -0.677 . . . . 2.0499999999999998 110.098 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.92 61.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.749 . . . . 1.25 112.123 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -26.81 64.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 2.8900000000000001 111.521 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 62' ' ' VAL . 1.3 m-20 -119.45 17.91 12.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.51 -0.314 . . . . 2.1499999999999999 110.739 -175.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.454 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 9.0 tpt -66.17 -41.25 90.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 1.1599999999999999 111.435 -172.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.53 -36.67 84.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 2.27 110.468 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.19 77.17 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.62 -0.718 . . . . 0.70999999999999996 111.868 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 58' ' ' ASP . 96.7 t -64.32 -43.97 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.828 0.347 . . . . 1.23 110.524 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -69.75 -35.95 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.60999999999999999 110.292 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.16 -47.0 78.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 3.5699999999999998 110.774 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.19 -17.85 56.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 2.2799999999999998 111.076 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.62 -33.98 67.19 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.108 -0.568 . . . . 0.54000000000000004 112.658 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.96 -32.26 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.108 0.48 . . . . 1.6299999999999999 110.884 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -88.08 10.44 70.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 0.62 112.726 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -123.51 39.01 4.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 1.0 110.835 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 1.29 111.852 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -77.81 -20.42 53.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.286 -0.415 . . . . 2.4399999999999999 111.577 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 m -94.87 -76.3 0.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.95 -0.3 . . . . 2.0600000000000001 110.79 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -168.18 26.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.129 0.49 . . . . 1.6599999999999999 109.984 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 62.95 26.91 15.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.296 -0.865 . . . . 1.2 110.934 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.5 t -130.39 128.95 64.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.133 -0.939 . . . . 2.0299999999999998 108.624 171.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' A' ' 78' ' ' ASP . 36.9 ttpt -67.7 120.67 75.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.469 -0.567 . . . . 3.0800000000000001 109.469 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.52 22.98 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.551 2.834 . . . . 2.2999999999999998 114.211 -172.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 76' ' ' LYS . 1.9 m-20 -80.02 -30.2 39.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.09 -0.707 . . . . 3.52 109.09 170.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 49.54 56.69 7.45 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.674 0.608 . . . . 3.5800000000000001 111.138 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.46 -48.61 3.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.534 -0.757 . . . . 1.55 110.08 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -80.21 -32.23 38.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.349 0.595 . . . . 2.7599999999999998 110.047 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.53 129.97 44.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.335 -0.848 . . . . 1.45 110.287 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.38 -43.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.912 -0.585 . . . . 1.51 110.191 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.03 149.26 31.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.875 -0.602 . . . . 1.1499999999999999 110.168 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -157.57 137.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.755 0.312 . . . . 2.5299999999999998 110.985 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.5 p -83.89 158.94 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.794 -0.639 . . . . 0.94999999999999996 109.911 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -66.08 149.5 50.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.099 -0.334 . . . . 3.3199999999999998 110.099 174.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.62 103.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.9 -0.778 . . . . 1.8999999999999999 108.9 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.9 pt -101.73 145.98 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.328 0.585 . . . . 1.1000000000000001 112.152 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.2 -157.59 31.65 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.054 -0.975 . . . . 0.79000000000000004 111.942 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.22 125.02 8.59 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.028 -0.606 . . . . 1.1499999999999999 113.02 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.18 0.45 77.16 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.031 -0.604 . . . . 0.80000000000000004 112.492 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.9 167.19 10.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.696 0.284 . . . . 2.3399999999999999 110.424 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -149.32 157.56 43.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.078 -0.51 . . . . 1.8600000000000001 110.567 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.5 t -151.88 159.59 43.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.494 -0.558 . . . . 1.8600000000000001 109.494 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 36.2 m -137.71 155.59 48.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.677 0.275 . . . . 1.1899999999999999 111.121 -177.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 97' ' ' LEU . 4.4 pp -134.15 159.41 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.167 -0.469 . . . . 1.1299999999999999 109.997 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -130.6 141.11 50.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.306 -0.406 . . . . 1.78 110.32 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 pp -144.94 161.64 38.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.42 -0.355 . . . . 1.1599999999999999 110.847 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.58 121.44 64.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 2.0800000000000001 109.976 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.47 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 31.9 Cg_exo -58.41 -25.97 75.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.054 2.503 . . . . 0.87 113.619 -177.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.54 61.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.086 0.469 . . . . 1.23 110.795 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -78.55 -21.18 49.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 3.5099999999999998 110.173 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.578 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 48.7 mt -85.56 -5.82 59.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.541 . . . . 1.9199999999999999 110.827 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.58 2.38 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 1.3999999999999999 110.76 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -98.9 -10.22 23.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 2.04 111.165 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.32 -173.55 30.1 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 119.935 -1.126 . . . . 0.93999999999999995 113.237 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -109.76 111.36 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.888 -0.782 . . . . 2.02 108.888 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 79.4 m-85 -105.28 146.63 29.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.665 0.745 . . . . 0.87 112.273 -169.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.77 152.89 34.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.754 -1.112 . . . . 2.1099999999999999 109.456 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.598 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.6 p90 -115.81 139.37 50.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.385 -0.969 . . . . 0.27000000000000002 108.385 170.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.36 168.63 25.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.147 0.499 . . . . 0.96999999999999997 111.832 -174.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 20.1 t -100.11 123.26 44.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.794 -1.094 . . . . 0.17999999999999999 108.257 173.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.0 p -95.56 13.21 26.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.913 0.387 . . . . 1.1000000000000001 111.552 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.59 134.28 95.96 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.083 -0.71 . . . . 0.32000000000000001 109.083 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.98 110.48 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.793 2.329 . . . . 0.55000000000000004 112.642 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.43 -8.76 52.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.779 -0.724 . . . . 0.5 112.316 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -103.07 -20.03 14.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.696 -0.297 . . . . 0.38 111.239 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.09 95.6 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.665 0.626 . . . . 0.60999999999999999 114.665 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -12.41 56.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.295 0.547 . . . . 1.5800000000000001 111.204 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 tp -105.58 -48.77 3.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.011 0.434 . . . . 2.6200000000000001 111.131 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.419 ' HE3' ' CA ' ' A' ' 16' ' ' MET . 36.3 mtt -93.64 81.71 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.239 -0.437 . . . . 1.27 110.416 -173.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -151.15 158.19 43.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.722 -0.672 . . . . 1.1299999999999999 110.834 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.14 -168.99 23.79 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.252 -0.885 . . . . 0.31 110.9 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.84 141.37 38.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.305 0.553 . . . . 2.0499999999999998 111.624 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.1 108.74 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 1.77 109.459 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.3 m -95.34 112.51 24.21 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.088 -0.506 . . . . 1.6799999999999999 111.327 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.7 tp -77.72 119.55 21.4 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.655 -0.868 . . . . 2.0099999999999998 108.655 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.79 157.66 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.085 0.469 . . . . 1.1899999999999999 111.127 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.499 -0.773 . . . . 2.25 110.355 178.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.936 0.398 . . . . 3.7200000000000002 110.719 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -92.68 -49.57 6.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.472 -0.331 . . . . 4.0199999999999996 111.573 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.96 3.81 7.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 3.0600000000000001 111.26 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.05 44.23 2.97 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.807 -0.711 . . . . 1.78 112.139 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -163.34 98.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.802 -0.444 . . . . 2.8799999999999999 109.802 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.8 m -105.45 16.45 25.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.026 0.441 . . . . 0.76000000000000001 110.97 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -154.87 146.35 23.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 1.0700000000000001 110.482 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.97 143.02 29.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.524 -0.307 . . . . 1.0800000000000001 110.5 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 m -106.81 130.61 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.0 0.429 . . . . 1.45 110.628 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 64.2 t -120.46 133.58 66.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.869 -0.605 . . . . 1.54 109.38 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HG2' ' HB2' ' A' ' 37' ' ' LYS . 41.3 mt-10 -106.4 142.35 36.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.5 . . . . 1.98 110.765 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 7.9 p -122.79 137.11 55.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.168 -0.924 . . . . 1.1799999999999999 108.808 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -123.22 -178.22 3.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.928 0.394 . . . . 1.79 111.227 -172.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.548 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 8.6 p-10 -76.63 2.4 14.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 2.2599999999999998 111.607 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.92 5.75 43.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.922 -0.399 . . . . 2.0899999999999999 109.922 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.45 ' HB3' ' HE2' ' A' ' 122' ' ' MET . 65.8 mtm 61.87 42.9 9.87 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.392 -0.822 . . . . 2.5299999999999998 111.284 178.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -134.22 126.25 29.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 2.3100000000000001 111.424 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 25.8 m-85 -74.23 146.1 43.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.45000000000000001 109.986 174.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' A' ' 11' ' ' GLU . 6.9 m-20 -58.97 -29.37 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 2.3100000000000001 111.348 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -144.45 152.0 40.01 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.243 -0.435 . . . . 1.27 110.404 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -117.03 11.96 14.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.332 0.587 . . . . 2.8500000000000001 110.018 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.469 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.1 t70 -143.56 129.15 19.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.55 -0.75 . . . . 2.0600000000000001 110.169 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.6 mt -124.42 126.82 72.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.182 -0.463 . . . . 1.1100000000000001 109.834 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -95.63 108.48 20.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.069 0.462 . . . . 2.04 110.711 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -95.78 118.8 42.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.792 -0.64 . . . . 1.1000000000000001 109.699 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.613 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 16.6 t -77.07 120.23 21.87 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.949 -0.569 . . . . 1.73 110.153 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -72.31 -10.56 59.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 1.5600000000000001 110.301 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.83 -10.11 58.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 1.1699999999999999 110.423 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' ' HB3' ' A' ' 26' ' ' SER . 99.0 m -88.17 148.2 24.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.48999999999999999 109.866 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -82.06 -27.59 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.172 -0.467 . . . . 3.98 110.438 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -155.55 149.73 25.73 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.429 -0.582 . . . . 2.0 109.429 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -127.65 125.11 39.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.889 -0.412 . . . . 0.39000000000000001 109.889 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 86.9 m -109.17 130.84 55.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.211 0.529 . . . . 1.04 111.161 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.4 mt -115.92 124.5 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 1.03 110.039 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -107.2 124.15 49.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.072 -0.513 . . . . 1.02 110.469 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 29.2 tp -102.87 128.17 49.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.362 -0.381 . . . . 1.05 110.263 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 34.2 mmtp -115.66 112.74 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 3.0699999999999998 109.96 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.7 94.37 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.16 0.505 . . . . 0.40999999999999998 110.229 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -78.85 145.94 33.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.416 -0.811 . . . . 2.0899999999999999 109.232 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.13 170.99 12.69 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.443 -0.663 . . . . 1.26 111.443 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.9 p -119.01 20.55 12.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.959 0.409 . . . . 2.2000000000000002 111.865 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -97.61 127.36 37.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.468 -0.333 . . . . 2.8100000000000001 110.582 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.01 165.45 32.34 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.732 2.288 . . . . 0.57999999999999996 112.353 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -53.61 -42.44 67.71 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.533 0.568 . . . . 2.4900000000000002 112.533 -171.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.16 -20.84 64.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.328 . . . . 1.27 111.806 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -93.8 -42.39 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 1.8600000000000001 110.317 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 51.7 ttm -164.87 83.18 0.38 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.275 0.559 . . . . 1.3200000000000001 110.638 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.82 156.22 21.39 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.133 -0.787 . . . . 0.14999999999999999 111.133 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.455 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 84.5 m-70 -135.75 154.99 51.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.808 0.337 . . . . 0.16 110.653 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -146.27 169.07 19.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 1.48 109.243 169.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tt -123.93 109.73 13.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.0 -0.741 . . . . 1.05 109.0 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 71.5 t -114.44 130.62 68.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.367 -0.833 . . . . 2.1299999999999999 110.614 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -112.44 118.6 58.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.113 -0.494 . . . . 1.3100000000000001 109.818 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.653 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -142.6 165.14 28.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 1.0900000000000001 111.052 -176.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -62.84 128.6 36.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.481 -0.781 . . . . 2.0499999999999998 109.884 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.74 66.03 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.458 0.54 . . . . 1.25 112.458 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.76 -12.12 59.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.729 0.299 . . . . 2.8900000000000001 111.167 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 12.1 m-20 -123.06 9.02 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 2.1499999999999999 110.403 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.653 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 11.5 tpt -68.17 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.852 -0.613 . . . . 1.1599999999999999 110.456 -173.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.4 t70 -60.33 -39.34 86.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 2.27 110.356 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.5 74.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.70999999999999996 112.3 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -72.01 -35.56 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.809 0.338 . . . . 1.23 110.573 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.51 -50.06 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.60999999999999999 111.249 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 11.7 ptmm? -64.18 -46.88 82.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.535 -0.302 . . . . 3.5699999999999998 111.679 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.06 -14.76 58.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.9 0.381 . . . . 2.2799999999999998 110.386 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.87 -30.79 72.42 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.915 -0.584 . . . . 0.54000000000000004 111.932 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.9 -36.82 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.087 0.47 . . . . 1.6299999999999999 110.409 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.33 4.29 73.14 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.935 -0.65 . . . . 0.62 112.355 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -112.76 34.44 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.187 0.518 . . . . 1.0 110.403 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.99 69.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.719 -0.673 . . . . 1.29 111.575 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.17 3.2 36.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 2.4399999999999999 111.461 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 t -145.01 54.7 1.22 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.418 0.628 . . . . 2.0600000000000001 111.183 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 66.47 20.04 10.9 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.426 -0.807 . . . . 1.6599999999999999 112.899 171.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 59.67 30.25 19.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.0 0.428 . . . . 1.2 111.489 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 m -124.13 123.96 67.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.096 -0.502 . . . . 2.0299999999999998 109.924 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' A' ' 78' ' ' ASP . 21.2 tptp -66.33 131.26 94.27 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.253 -0.647 . . . . 3.0800000000000001 109.253 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.22 15.36 0.16 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.644 2.229 . . . . 2.2999999999999998 113.031 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 76' ' ' LYS . 8.1 t70 -57.68 -57.44 12.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.545 -0.752 . . . . 3.52 109.5 171.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 53.56 22.93 3.22 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.534 0.568 . . . . 3.5800000000000001 112.534 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.39 -41.08 4.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.613 -0.514 . . . . 1.55 109.613 175.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.456 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 38.3 mtt180 -74.96 -26.92 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.577 -0.897 . . . . 2.7599999999999998 108.577 173.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.98 139.38 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.479 -1.237 . . . . 1.45 109.927 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -101.03 -41.12 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 1.51 110.682 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.38 146.79 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.135 -0.484 . . . . 1.1499999999999999 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -154.55 140.06 17.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 2.5299999999999998 110.941 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.0 p -86.28 170.21 12.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.94999999999999996 110.327 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -73.43 153.12 40.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.207 -0.664 . . . . 3.3199999999999998 109.207 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -73.27 110.51 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.23 -1.026 . . . . 1.8999999999999999 108.23 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.471 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 30.5 pt -112.89 138.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.015 -0.539 . . . . 1.1000000000000001 111.841 -172.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -91.56 -169.72 41.78 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.629 -0.714 . . . . 0.79000000000000004 111.752 176.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.8 121.46 23.58 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.931 -0.652 . . . . 1.1499999999999999 112.348 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.12 8.34 57.88 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.825 -0.702 . . . . 0.80000000000000004 112.318 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 37.2 mt-10 -109.3 161.25 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 2.3399999999999999 110.859 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -143.83 148.56 35.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.8600000000000001 110.235 175.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 t -149.04 152.54 36.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 1.8600000000000001 109.308 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.0 m -135.25 157.28 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 1.1899999999999999 110.975 -175.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 97' ' ' LEU . 4.4 pp -138.46 158.31 44.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 1.1299999999999999 110.089 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.8 m -126.71 126.3 43.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.464 -0.569 . . . . 1.78 109.464 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.82 159.74 23.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.988 0.423 . . . . 1.1599999999999999 111.384 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -98.61 122.22 54.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.5 -0.773 . . . . 2.0800000000000001 110.317 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.505 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 34.9 Cg_exo -60.51 -30.88 91.64 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.108 2.539 . . . . 0.87 113.271 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.98 -32.97 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.618 0.247 . . . . 1.23 110.593 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.83 -35.44 81.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 3.5099999999999998 110.351 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.607 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 41.3 mt -79.93 -10.01 59.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 1.9199999999999999 110.534 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.85 -7.27 58.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.611 . . . . 1.3999999999999999 110.836 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -94.31 23.57 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 2.04 111.604 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.29 -169.85 38.52 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.847 -0.692 . . . . 0.93999999999999995 111.715 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.458 ' CG ' ' HZ1' ' A' ' 125' ' ' LYS . 23.5 t70 -108.55 119.83 40.65 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.784 -0.45 . . . . 2.02 109.784 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.607 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 58.5 m-85 -107.7 159.07 16.75 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.362 0.601 . . . . 0.87 112.383 -173.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -125.29 158.44 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.212 -0.903 . . . . 2.1099999999999999 109.282 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 21.6 p90 -123.05 142.73 50.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.716 -0.846 . . . . 0.27000000000000002 108.716 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.59 171.22 14.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.083 0.468 . . . . 0.96999999999999997 112.021 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.2 t -98.54 122.34 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.98 -1.009 . . . . 0.17999999999999999 108.568 173.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.2 p -92.95 11.5 27.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.15 0.426 . . . . 1.1000000000000001 112.15 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.57 137.29 97.09 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.821 -0.807 . . . . 0.32000000000000001 108.821 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.98 118.35 5.05 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.443 2.095 . . . . 0.55000000000000004 112.51 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.87 5.33 74.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.472 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.48 -19.51 13.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.928 0.344 . . . . 0.38 111.928 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.71 -27.44 73.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.111 -0.566 . . . . 0.60999999999999999 114.402 -170.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.86 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.355 0.577 . . . . 1.5800000000000001 111.612 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.2 tp -96.29 -39.2 9.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.964 0.411 . . . . 2.6200000000000001 110.892 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.45 ' HE2' ' HB3' ' A' ' 16' ' ' MET . 10.4 mtm -97.97 83.65 3.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.273 -0.421 . . . . 1.27 111.283 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -152.79 158.19 41.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.702 -0.681 . . . . 1.1299999999999999 110.007 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.18 -170.8 31.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.85 -0.69 . . . . 0.31 112.318 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 16.4 tppt? -108.18 131.87 54.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.106 0.479 . . . . 2.0499999999999998 111.491 -175.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.14 119.44 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.545 -0.909 . . . . 1.77 108.545 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 26.1 m -108.62 138.63 44.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.925 -0.579 . . . . 1.6799999999999999 111.418 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.408 HD22 ' HB3' ' A' ' 104' ' ' LEU . 4.4 mm? -89.3 118.75 29.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 2.0099999999999998 109.996 176.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 32.7 m -121.28 159.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 1.1899999999999999 110.326 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.258 -0.428 . . . . 2.25 110.6 -178.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.355 0.122 . . . . 3.7200000000000002 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.475 ' HA ' ' OD1' ' A' ' 5' ' ' ASN . 17.9 m 62.94 47.61 4.28 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.978 0.895 . . . . 4.0199999999999996 110.261 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.38 -16.02 15.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.382 -0.826 . . . . 3.0600000000000001 110.407 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.34 2.02 32.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.007 -0.616 . . . . 1.78 111.748 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.475 ' OD1' ' HA ' ' A' ' 2' ' ' THR . 16.4 m120 -86.88 113.06 22.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.752 0.311 . . . . 2.8799999999999999 110.204 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 63.0 m -101.72 3.18 39.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.346 0.594 . . . . 0.76000000000000001 110.347 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.4 148.31 28.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.843 -0.617 . . . . 1.0700000000000001 110.157 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.98 141.9 28.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.411 -0.359 . . . . 1.0800000000000001 110.456 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 m -108.5 129.47 55.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.14 0.495 . . . . 1.45 110.535 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 92.5 t -120.07 126.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.631 -0.713 . . . . 1.54 109.742 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.04 145.57 31.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.916 0.389 . . . . 1.98 110.768 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 23.0 t -132.37 137.03 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.099 -1.074 . . . . 1.1799999999999999 108.099 172.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -121.46 -166.96 1.43 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.285 0.476 . . . . 1.79 112.285 -168.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.602 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 11.5 p-10 -75.35 -19.66 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.579 -0.737 . . . . 2.2599999999999998 111.683 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.71 7.56 12.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.485 0.66 . . . . 2.0899999999999999 110.083 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.438 ' HB3' ' HE3' ' A' ' 122' ' ' MET . 65.6 mtt 62.53 59.49 1.5 Allowed 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 114.805 -1.089 . . . . 2.5299999999999998 111.557 174.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.55 150.55 19.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.996 -0.547 . . . . 2.3100000000000001 110.985 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -83.87 143.05 30.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.567 -0.742 . . . . 0.45000000000000001 109.311 170.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -68.12 -20.26 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 2.3100000000000001 111.286 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -132.92 145.63 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.327 . . . . 1.27 110.206 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -108.59 -6.87 15.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.346 0.593 . . . . 2.8500000000000001 110.309 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -137.66 130.09 29.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.094 -0.503 . . . . 2.0600000000000001 110.78 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.82 131.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.109 -0.496 . . . . 1.1100000000000001 110.2 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -107.97 126.06 52.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.968 -0.56 . . . . 2.04 110.358 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.0 t -108.08 122.74 62.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.588 -0.733 . . . . 1.1000000000000001 109.952 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.5 t -77.91 122.45 25.51 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.134 0.492 . . . . 1.73 111.005 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -69.54 -20.17 63.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.494 -0.775 . . . . 1.5600000000000001 110.079 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.14 -10.68 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.684 -0.689 . . . . 1.1699999999999999 110.827 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 88.4 m -95.81 142.53 27.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.972 -0.558 . . . . 0.48999999999999999 109.858 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -78.33 -46.37 20.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.148 -0.478 . . . . 3.98 110.242 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -123.46 130.19 52.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.718 -0.475 . . . . 2.0 109.718 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 38.3 t80 -119.46 116.56 26.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.39000000000000001 109.515 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 67.5 m -111.03 130.4 55.61 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.908 -0.587 . . . . 1.04 110.936 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.05 124.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.944 -0.571 . . . . 1.03 110.151 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -103.85 124.01 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.282 -0.417 . . . . 1.02 110.694 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 33.3 tp -99.91 130.75 46.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.554 . . . . 1.05 109.584 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.88 116.7 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.069 0.461 . . . . 3.0699999999999998 110.064 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.4 t60 -100.71 98.92 9.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.107 0.479 . . . . 0.40999999999999998 110.526 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -81.86 146.17 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.609 -0.723 . . . . 2.0899999999999999 109.445 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.55 166.0 10.88 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.095 -0.802 . . . . 1.26 111.095 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.0 p -111.78 20.18 17.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.212 0.506 . . . . 2.2000000000000002 110.972 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -99.34 133.58 21.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.128 -0.487 . . . . 2.8100000000000001 110.958 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.66 158.22 57.86 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.356 2.704 . . . . 0.57999999999999996 112.319 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -71.85 -15.74 62.13 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.753 -0.658 . . . . 2.4900000000000002 111.936 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.89 61.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.853 0.358 . . . . 1.27 111.153 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 p -112.14 -51.33 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 1.8600000000000001 110.873 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.602 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 50.6 ttm -126.46 67.17 1.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.524 0.678 . . . . 1.3200000000000001 110.168 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.03 153.08 21.0 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 110.995 -0.842 . . . . 0.14999999999999999 110.995 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.466 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 87.6 m-70 -134.9 150.35 50.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.59 -0.444 . . . . 0.16 110.947 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -142.4 169.72 17.05 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 1.48 108.823 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 tt -132.28 112.39 12.19 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.426 -0.583 . . . . 1.05 109.426 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.617 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.8 m -110.33 149.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.717 -0.674 . . . . 2.1299999999999999 110.273 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -124.31 118.92 55.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.835 -0.432 . . . . 1.3100000000000001 109.835 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HB2' ' SD ' ' A' ' 59' ' ' MET . . . -147.62 177.43 9.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.677 . . . . 1.0900000000000001 111.21 -174.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -66.35 128.97 38.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.751 -0.659 . . . . 2.0499999999999998 110.475 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.41 -31.06 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 1.25 112.282 -176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.83 -13.34 59.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.406 -0.361 . . . . 2.8900000000000001 111.811 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -122.76 14.95 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.576 0.703 . . . . 2.1499999999999999 109.447 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.413 ' SD ' ' HB2' ' A' ' 54' ' ' ALA . 9.5 tpt -65.24 -34.42 78.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.272 -0.876 . . . . 1.1599999999999999 110.984 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.22 -38.45 89.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 2.27 110.456 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.94 -31.12 79.89 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.732 -0.667 . . . . 0.70999999999999996 111.611 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.22 -40.81 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 1.23 110.276 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -72.86 -30.33 63.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.60999999999999999 110.754 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -72.0 -49.18 39.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 3.5699999999999998 110.747 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.16 -16.33 59.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.17 -0.468 . . . . 2.2799999999999998 110.713 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.08 -48.26 33.37 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.966 -0.561 . . . . 0.54000000000000004 112.762 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -61.93 -30.22 48.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 1.6299999999999999 110.913 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.22 14.83 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.62 112.548 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.416 ' HB2' ' OG1' ' A' ' 72' ' ' THR . . . -127.02 51.03 1.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.202 0.525 . . . . 1.0 110.38 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.815 -0.63 . . . . 1.29 111.946 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.14 -0.18 30.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.712 0.292 . . . . 2.4399999999999999 111.494 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.524 ' O ' HG21 ' A' ' 75' ' ' VAL . 19.0 p -128.19 44.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.739 0.304 . . . . 2.0600000000000001 111.033 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 59.6 26.91 16.01 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.841 -0.618 . . . . 1.6599999999999999 112.043 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CD2' HD11 ' A' ' 88' ' ' LEU . 42.4 m-85 62.43 31.89 16.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 1.2 111.537 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 72' ' ' THR . 13.5 m -132.53 154.9 40.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 2.0299999999999998 110.222 175.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -108.32 89.8 6.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.92 -0.4 . . . . 3.0800000000000001 109.92 175.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 75' ' ' VAL . 22.6 Cg_exo -65.07 -19.45 63.37 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.748 2.299 . . . . 2.2999999999999998 113.313 -176.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -96.47 11.99 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.664 0.269 . . . . 3.52 111.298 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -102.37 151.09 22.68 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.888 -0.412 . . . . 3.5800000000000001 109.888 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.1 -7.07 56.5 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.192 0.441 . . . . 1.55 112.192 -173.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -78.14 -20.26 52.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.209 0.528 . . . . 2.7599999999999998 109.849 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.4 t -94.55 126.02 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.573 -0.74 . . . . 1.45 110.624 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.96 -44.06 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 1.51 110.087 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.14 156.62 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 1.1499999999999999 110.179 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -158.2 152.9 24.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.665 0.269 . . . . 2.5299999999999998 110.605 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.1 p -95.41 -179.16 4.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.195 -0.669 . . . . 0.94999999999999996 109.195 169.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -99.7 168.52 9.87 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.519 -0.549 . . . . 3.3199999999999998 109.519 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 74' ' ' TYR . 24.0 mt -71.65 120.73 17.66 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.723 0.297 . . . . 1.8999999999999999 110.659 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 28.7 pt -120.94 142.31 37.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.11 -0.495 . . . . 1.1000000000000001 110.836 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.89 -168.17 30.75 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.79000000000000004 111.691 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.6 116.93 9.23 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.785 -0.721 . . . . 1.1499999999999999 111.996 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 99.23 20.52 17.75 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.779 -0.724 . . . . 0.80000000000000004 112.283 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -129.88 157.1 43.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.868 0.366 . . . . 2.3399999999999999 110.981 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -131.18 152.94 49.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 1.8600000000000001 109.833 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.1 p -142.33 169.38 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 1.8600000000000001 109.803 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -151.36 156.64 41.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 1.1899999999999999 111.58 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 97' ' ' LEU . 4.5 pp -138.16 158.93 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.582 -0.735 . . . . 1.1299999999999999 109.406 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.4 m -135.47 132.34 37.27 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.43 -0.581 . . . . 1.78 109.43 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.41 157.63 42.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.06 0.457 . . . . 1.1599999999999999 111.101 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.32 115.41 64.02 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.266 -0.879 . . . . 2.0800000000000001 109.417 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.589 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 50.6 Cg_exo -53.54 -30.77 56.01 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.172 2.581 . . . . 0.87 113.685 -176.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.44 -17.76 64.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 1.23 111.293 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -80.15 -11.68 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 3.5099999999999998 110.584 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.411 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 55.6 mt -94.47 3.48 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 1.9199999999999999 110.939 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.64 39.64 1.04 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.052 -0.522 . . . . 1.3999999999999999 110.482 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.56 12.18 6.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 2.04 111.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.14 -168.45 25.09 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.248 -0.977 . . . . 0.93999999999999995 112.58 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.97 123.39 33.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.986 -0.375 . . . . 2.02 109.986 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.411 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 57.7 m-85 -106.26 153.28 22.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.87 111.294 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -124.51 156.66 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.977 -0.556 . . . . 2.1099999999999999 110.275 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.617 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 40.3 p90 -115.79 145.6 42.68 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.387 -0.968 . . . . 0.27000000000000002 108.387 170.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.24 165.05 29.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.276 0.473 . . . . 0.96999999999999997 112.276 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.7 t -99.94 119.79 38.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.808 -1.087 . . . . 0.17999999999999999 108.233 172.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.2 p -90.33 16.77 8.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 1.1000000000000001 111.825 -174.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -70.45 137.86 86.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.242 -0.651 . . . . 0.32000000000000001 109.242 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 113.52 1.19 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.893 2.396 . . . . 0.55000000000000004 112.973 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 95.57 -7.05 68.21 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.5 112.469 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -100.35 -29.57 12.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.734 -0.274 . . . . 0.38 111.421 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.08 -49.29 63.5 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 114.548 0.579 . . . . 0.60999999999999999 114.548 -170.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.93 -20.41 64.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.837 0.351 . . . . 1.5800000000000001 111.589 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.5 tp -98.94 -44.57 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.381 -0.372 . . . . 2.6200000000000001 111.315 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.438 ' HE3' ' HB3' ' A' ' 16' ' ' MET . 37.8 mtt -98.92 82.44 2.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.987 0.422 . . . . 1.27 110.504 -172.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -153.43 153.15 31.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.742 -0.663 . . . . 1.1299999999999999 110.461 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -154.15 -162.87 11.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.246 -0.741 . . . . 0.31 111.246 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -107.69 140.16 41.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.317 0.558 . . . . 2.0499999999999998 112.125 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 111' ' ' PHE . 88.4 t -115.66 103.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.724 -0.843 . . . . 1.77 108.724 171.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 39.9 m -109.08 134.22 51.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.173 0.511 . . . . 1.6799999999999999 111.573 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.58 123.62 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.524 -0.762 . . . . 2.0099999999999998 109.855 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.65 154.68 14.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.421 . . . . 1.1899999999999999 110.713 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 2.25 110.305 -178.055 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.032 -0.359 . . . . 3.7200000000000002 110.032 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.2 m -139.52 -62.66 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.79 0.329 . . . . 4.0199999999999996 111.373 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.91 -15.17 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.099 0.407 . . . . 3.0600000000000001 112.099 -173.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.78 36.9 3.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.571 -0.823 . . . . 1.78 112.742 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -121.32 107.97 13.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.664 -0.315 . . . . 2.8799999999999999 110.791 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 65.4 m -111.25 -8.91 14.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.159 0.504 . . . . 0.76000000000000001 110.334 177.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.8 150.54 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.646 -0.707 . . . . 1.0700000000000001 110.506 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.06 154.72 42.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 1.0800000000000001 110.461 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 m -123.56 127.97 49.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.989 0.424 . . . . 1.45 110.637 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -116.94 130.96 70.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 1.54 109.977 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.08 129.03 48.3 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.304 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.8 p -118.28 135.22 54.42 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.241 -0.651 . . . . 1.1799999999999999 109.241 175.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -122.5 -165.5 1.3 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.875 -0.33 . . . . 1.79 110.963 -173.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -90.13 4.29 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 2.2599999999999998 111.763 -175.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -95.41 9.52 39.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.959 0.409 . . . . 2.0899999999999999 110.4 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mtt 62.46 54.74 2.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.382 -0.827 . . . . 2.5299999999999998 111.14 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -154.18 154.46 33.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.219 -0.446 . . . . 2.3100000000000001 111.19 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 122' ' ' MET . 60.4 m-85 -98.85 155.43 17.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.103 -1.073 . . . . 0.45000000000000001 108.103 168.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -78.96 1.0 25.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 2.3100000000000001 110.949 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -156.21 136.25 12.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.239 -0.437 . . . . 1.27 110.047 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -105.04 17.63 23.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.116 0.484 . . . . 2.8500000000000001 110.172 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 30.7 t70 -143.64 134.36 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.672 -0.694 . . . . 2.0600000000000001 110.531 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.2 mt -127.97 133.7 66.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.759 -0.46 . . . . 1.1100000000000001 109.759 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -103.95 117.54 34.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.128 -0.487 . . . . 2.04 110.467 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 101' ' ' PRO . 85.9 t -107.2 120.92 59.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.068 -0.515 . . . . 1.1000000000000001 110.208 178.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -77.43 121.35 23.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.039 0.447 . . . . 1.73 110.98 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.54 -19.05 60.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.784 -0.644 . . . . 1.5600000000000001 110.672 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.98 63.1 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.409 0.623 . . . . 1.1699999999999999 109.847 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 78.5 m -86.98 144.44 26.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.296 -0.865 . . . . 0.48999999999999999 109.145 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 10.9 mptt -88.81 -23.75 22.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.752 0.311 . . . . 3.98 110.298 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -141.42 139.7 33.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 2.0 109.965 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -121.3 132.66 54.92 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.845 -0.428 . . . . 0.39000000000000001 109.845 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 88.9 m -112.75 132.92 55.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.035 0.445 . . . . 1.04 111.137 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.09 130.43 74.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.088 -0.505 . . . . 1.03 110.094 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -110.24 126.35 54.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.28 -0.418 . . . . 1.02 110.462 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 tp -103.15 124.64 48.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.097 -0.501 . . . . 1.05 110.016 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -113.26 108.53 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.232 -0.44 . . . . 3.0699999999999998 110.17 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.5 t60 -88.35 93.4 9.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.775 -0.454 . . . . 0.40999999999999998 109.775 177.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 p -82.67 56.6 3.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 2.0899999999999999 111.234 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -143.15 158.45 27.23 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.847 -0.901 . . . . 1.26 110.847 177.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -104.53 18.53 22.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.149 0.474 . . . . 2.2000000000000002 111.854 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -99.47 136.52 20.36 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.168 -0.469 . . . . 2.8100000000000001 110.466 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -65.42 153.11 79.7 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.4 2.733 . . . . 0.57999999999999996 112.549 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -67.08 -19.03 65.59 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.659 -0.7 . . . . 2.4900000000000002 111.831 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.46 -10.23 59.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.399 -0.364 . . . . 1.27 111.24 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 t -121.93 -55.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 1.8600000000000001 110.311 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 tpp -127.54 68.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.651 0.738 . . . . 1.3200000000000001 109.284 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.8 152.51 20.33 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 114.999 -1.0 . . . . 0.14999999999999999 111.405 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 85.6 m-70 -134.25 151.36 51.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.991 0.424 . . . . 0.16 110.65 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.404 ' ND2' ' HE2' ' A' ' 85' ' ' HIS . 29.9 p30 -146.78 168.79 20.51 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.365 -0.834 . . . . 1.48 108.916 172.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 8.8 tt -133.37 117.24 17.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.723 -0.473 . . . . 1.05 109.723 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 7.4 p -117.81 146.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.891 -0.595 . . . . 2.1299999999999999 109.686 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.4 mt -121.25 123.68 70.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.376 -0.375 . . . . 1.3100000000000001 110.21 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.568 ' HB1' ' SD ' ' A' ' 59' ' ' MET . . . -148.04 174.12 12.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 1.0900000000000001 110.708 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.59 127.65 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 2.0499999999999998 109.951 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.93 65.69 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.378 0.881 . . . . 1.25 113.378 -169.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.62 -9.17 59.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.73 0.3 . . . . 2.8900000000000001 111.516 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.83 8.12 8.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.665 0.745 . . . . 2.1499999999999999 109.853 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.568 ' SD ' ' HB1' ' A' ' 54' ' ' ALA . 12.0 tpt -65.11 -34.87 79.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.361 -0.836 . . . . 1.1599999999999999 110.884 -175.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 1.8 m-20 -62.3 -35.7 79.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.27 110.635 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.01 -28.81 72.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.892 -0.671 . . . . 0.70999999999999996 111.681 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.56 -39.97 86.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 1.23 110.386 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -68.59 -31.74 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.60999999999999999 110.709 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.5 mtpt -69.68 -39.06 77.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.531 . . . . 3.5699999999999998 110.32 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.412 ' HB3' ' HB2' ' A' ' 76' ' ' LYS . 93.3 m-20 -73.89 -28.48 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.093 -0.503 . . . . 2.2799999999999998 110.403 176.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 -44.87 48.49 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.556 -0.747 . . . . 0.54000000000000004 113.224 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.71 -19.11 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.386 . . . . 1.6299999999999999 111.39 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.38 16.32 55.31 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.57 -0.824 . . . . 0.62 112.412 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -132.03 48.72 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.99 0.424 . . . . 1.0 111.447 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 1.29 111.479 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.81 -15.65 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 2.4399999999999999 111.614 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.2 t -131.54 55.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.66 0.743 . . . . 2.0600000000000001 110.932 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 56.8 28.2 14.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.058 -0.973 . . . . 1.6599999999999999 112.489 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CD2' HD13 ' A' ' 88' ' ' LEU . 47.3 m-85 60.65 39.52 17.58 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.114 0.566 . . . . 1.2 112.192 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.0 m -140.86 127.06 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 2.0299999999999998 110.088 170.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 65' ' ' ASP . 88.1 tttt -72.37 134.03 82.73 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 109.096 -0.705 . . . . 3.0800000000000001 109.096 177.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -67.67 52.91 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.9 2.4 . . . . 2.2999999999999998 112.784 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.07 -29.29 23.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.0 -0.545 . . . . 3.52 110.138 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.31 -37.57 0.38 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.402 -0.817 . . . . 3.5800000000000001 113.004 176.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.92 -39.17 64.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 1.55 110.505 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -80.35 -2.41 45.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.063 -0.517 . . . . 2.7599999999999998 111.133 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.5 t -130.28 84.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 1.45 110.294 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.32 -39.22 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.505 0.669 . . . . 1.51 109.683 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -162.95 151.15 13.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.883 -1.053 . . . . 1.1499999999999999 109.251 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 30.4 t-80 -156.62 133.88 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 2.5299999999999998 111.703 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.528 ' HB ' ' OG ' ' A' ' 95' ' ' SER . 30.9 p -88.73 145.5 25.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.94999999999999996 109.884 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.55 154.34 42.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.547 -0.297 . . . . 3.3199999999999998 110.611 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 74' ' ' TYR . 34.9 mt -60.97 114.66 3.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.165 -0.47 . . . . 1.8999999999999999 110.108 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.0 pt -109.24 135.01 49.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-O 121.198 0.523 . . . . 1.1000000000000001 111.238 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.92 -139.33 10.75 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.066 -0.97 . . . . 0.79000000000000004 112.866 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -69.62 110.87 3.55 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.303 -0.475 . . . . 1.1499999999999999 113.225 -174.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.61 28.82 58.75 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.855 -0.688 . . . . 0.80000000000000004 112.807 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -113.96 161.21 17.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 2.3399999999999999 110.783 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -143.07 153.15 42.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.506 -0.77 . . . . 1.8600000000000001 109.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.528 ' OG ' ' HB ' ' A' ' 86' ' ' THR . 15.5 p -148.87 153.47 38.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.675 0.274 . . . . 1.8600000000000001 110.433 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -128.75 158.92 37.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 1.1899999999999999 110.792 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 97' ' ' LEU . 4.2 pp -138.44 161.27 37.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 1.1299999999999999 109.61 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 36.3 m -135.04 131.78 37.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.251 -0.648 . . . . 1.78 109.251 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 pp -129.37 158.87 37.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.371 . . . . 1.1599999999999999 111.261 -175.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.05 111.46 54.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.618 -0.719 . . . . 2.0800000000000001 109.794 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 31.0 Cg_endo -63.99 -19.8 66.97 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.997 2.465 . . . . 0.87 113.414 -173.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.45 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.053 0.454 . . . . 1.23 110.99 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -81.18 -22.43 38.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 3.5099999999999998 110.614 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.421 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.96 -8.54 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 1.9199999999999999 110.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.32 -6.16 50.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 1.3999999999999999 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.1 -31.22 62.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.84 -0.618 . . . . 2.04 111.438 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.7 -147.45 8.45 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.928 -1.129 . . . . 0.93999999999999995 113.169 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.55 115.49 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 2.02 110.136 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 13.6 m-85 -107.7 151.92 25.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.176 -0.466 . . . . 0.87 111.647 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -137.65 159.62 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 2.1099999999999999 110.381 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 38.6 p90 -122.43 150.14 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.17 -0.678 . . . . 0.27000000000000002 109.17 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.62 164.92 19.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.96999999999999997 111.672 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 41.0 t -92.94 121.45 34.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.992 -1.004 . . . . 0.17999999999999999 108.359 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.1 p -88.88 15.54 8.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.063 0.394 . . . . 1.1000000000000001 112.063 -173.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -69.58 131.47 89.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.746 -0.835 . . . . 0.32000000000000001 108.746 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.58 115.43 2.39 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.922 2.415 . . . . 0.55000000000000004 112.523 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.98 -30.62 9.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.438 -0.665 . . . . 0.5 111.438 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -80.17 -44.25 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.619 0.247 . . . . 0.38 110.464 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -16.95 20.9 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 114.342 0.497 . . . . 0.60999999999999999 114.342 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.1 -32.69 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.986 0.393 . . . . 1.5800000000000001 111.77 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.82 -7.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 2.6200000000000001 111.784 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.483 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 9.2 ttm -109.8 73.85 0.86 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.37 0.605 . . . . 1.27 109.687 -175.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -143.01 168.59 19.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.269 -0.878 . . . . 1.1299999999999999 110.824 -174.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -165.61 -176.32 36.95 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.851 -0.69 . . . . 0.31 112.188 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 28.3 mmmt -104.64 132.61 50.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.672 0.272 . . . . 2.0499999999999998 110.447 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.5 p -110.79 115.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.007 -0.738 . . . . 1.77 109.007 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.5 m -104.98 131.99 51.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.437 -0.801 . . . . 1.6799999999999999 111.144 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.73 112.74 21.33 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.068 -0.715 . . . . 2.0099999999999998 109.068 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.72 172.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.767 -0.651 . . . . 1.1899999999999999 110.491 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.247 -0.433 . . . . 2.25 111.343 -179.031 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.728 0.299 . . . . 3.7200000000000002 110.567 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.7 p -97.39 -62.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.784 0.326 . . . . 4.0199999999999996 111.343 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.48 13.88 29.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.022 0.439 . . . . 3.0600000000000001 110.75 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.55 36.94 3.65 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.114 -0.565 . . . . 1.78 112.341 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -99.83 107.98 20.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.007 -0.368 . . . . 2.8799999999999999 110.007 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 62.9 m -109.68 -9.16 14.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.288 0.566 . . . . 0.76000000000000001 110.373 178.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.96 154.03 33.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 1.0700000000000001 110.254 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.44 26.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.0 -0.545 . . . . 1.0800000000000001 110.211 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -109.64 115.4 29.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.993 0.425 . . . . 1.45 110.118 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.9 t -108.26 122.97 63.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.944 -0.571 . . . . 1.54 109.915 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' H ' ' HB2' ' A' ' 19' ' ' ASN . 32.8 mt-10 -93.84 143.07 26.67 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 1.98 109.843 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -132.13 136.84 47.4 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.305 -0.628 . . . . 1.1799999999999999 109.305 175.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -125.61 -176.58 3.64 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.921 -0.312 . . . . 1.79 110.841 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -83.75 2.26 38.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 2.2599999999999998 110.368 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -88.39 5.0 44.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 2.0899999999999999 110.35 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.0 mtp 67.01 54.76 0.74 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.306 -0.861 . . . . 2.5299999999999998 111.362 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -157.95 171.33 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 2.3100000000000001 110.533 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -115.2 172.89 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.45000000000000001 110.994 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HB2' ' H ' ' A' ' 11' ' ' GLU . 23.3 t-20 -66.58 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 2.3100000000000001 110.525 173.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -147.76 159.82 43.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.583 . . . . 1.27 110.156 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -118.24 7.86 12.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 2.8500000000000001 109.39 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.21 135.83 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.168 -0.924 . . . . 2.0600000000000001 110.0 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.18 129.97 67.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.435 . . . . 1.1100000000000001 110.075 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -107.58 114.1 27.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.07 -0.513 . . . . 2.04 110.825 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.06 118.46 45.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 1.1000000000000001 110.292 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.5 m -80.85 121.95 26.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.062 0.458 . . . . 1.73 110.571 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.04 -24.69 67.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.669 -0.696 . . . . 1.5600000000000001 112.431 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.48 6.89 9.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.044 0.449 . . . . 1.1699999999999999 111.539 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 71.5 m -100.63 141.24 33.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.194 -0.457 . . . . 0.48999999999999999 110.396 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -64.71 -50.07 68.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.83 -0.623 . . . . 3.98 110.292 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -138.97 148.9 44.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 2.0 109.806 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.1 t80 -108.74 115.75 30.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.354 -0.61 . . . . 0.39000000000000001 109.354 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -97.86 109.08 21.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.253 0.549 . . . . 1.04 111.406 -174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -100.04 120.35 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 1.03 109.906 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -108.56 121.94 46.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.289 -0.414 . . . . 1.02 110.803 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 30.4 tp -100.88 126.45 47.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.037 -0.529 . . . . 1.05 109.878 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -120.63 110.12 16.05 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.28 -0.418 . . . . 3.0699999999999998 109.938 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.1 t60 -85.21 91.86 8.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 0.40999999999999998 110.126 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -82.38 77.16 9.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.081 -0.963 . . . . 2.0899999999999999 110.372 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.04 -175.42 22.91 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.585 -1.006 . . . . 1.26 110.585 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.5 p -125.08 13.87 8.41 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 117.186 0.493 . . . . 2.2000000000000002 111.34 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 13.7 mm100 -93.03 135.71 25.52 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.21 -0.45 . . . . 2.8100000000000001 111.173 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.63 154.48 68.21 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.863 2.375 . . . . 0.57999999999999996 111.38 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -67.13 -15.69 63.87 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.605 0.594 . . . . 2.4900000000000002 112.605 -171.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.7 -12.78 59.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.934 0.397 . . . . 1.27 111.104 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -111.79 -58.38 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.386 -0.37 . . . . 1.8600000000000001 110.277 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.4 ' HB3' ' CB ' ' A' ' 42' ' ' GLN . 56.7 tpp -133.38 71.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.324 0.583 . . . . 1.3200000000000001 109.632 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.38 152.26 20.14 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.458 -0.792 . . . . 0.14999999999999999 111.299 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.462 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 86.5 m-70 -135.42 153.4 51.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.16 110.886 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -143.49 175.26 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.624 -0.716 . . . . 1.48 109.135 169.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -135.02 114.31 12.33 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.41 -0.589 . . . . 1.05 109.41 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 21.6 m -110.74 149.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 2.1299999999999999 110.633 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.3 mm -116.01 116.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.949 -0.569 . . . . 1.3100000000000001 109.676 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB2' ' SD ' ' A' ' 59' ' ' MET . . . -148.9 172.23 15.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 1.0900000000000001 110.773 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.7 150.33 37.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.391 -0.368 . . . . 2.0499999999999998 110.825 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.93 -51.42 63.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.365 . . . . 1.25 111.945 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.76 -27.6 65.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 2.8900000000000001 111.777 -176.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -97.06 -0.34 47.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.996 0.427 . . . . 2.1499999999999999 110.917 -174.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 54' ' ' ALA . 7.2 tpt -67.22 -35.07 78.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 1.1599999999999999 110.874 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.97 -41.27 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 2.27 111.039 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.93 -29.9 73.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.799 -0.715 . . . . 0.70999999999999996 111.866 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.63 -45.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.744 0.307 . . . . 1.23 110.573 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 67' ' ' VAL . 44.4 m-85 -65.35 -41.13 94.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.405 -0.361 . . . . 0.60999999999999999 110.681 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -61.22 -49.19 78.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 3.5699999999999998 110.857 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.22 -30.37 64.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 2.2799999999999998 109.952 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.64 92.63 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.364 -0.834 . . . . 0.54000000000000004 112.725 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 63' ' ' PHE . 87.2 t -61.03 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 1.6299999999999999 110.678 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.87 8.45 79.78 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.908 -0.663 . . . . 0.62 112.128 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.407 ' HB3' ' CG2' ' A' ' 72' ' ' THR . . . -116.34 41.23 2.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.501 . . . . 1.0 110.641 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.11 67.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 1.29 111.604 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 -11.77 59.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.954 -0.567 . . . . 2.4399999999999999 111.81 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 69' ' ' ALA . 5.4 t -130.81 54.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.603 0.716 . . . . 2.0600000000000001 111.174 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 63.51 23.38 13.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.264 -0.88 . . . . 1.6599999999999999 112.315 171.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 60.47 35.58 20.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.005 -0.543 . . . . 1.2 111.563 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.57 ' O ' ' HD3' ' A' ' 77' ' ' PRO . 8.0 p -155.32 136.22 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 2.0299999999999998 109.957 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -81.44 107.12 7.12 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 3.0800000000000001 110.592 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HD3' ' O ' ' A' ' 75' ' ' VAL . 24.1 Cg_exo -64.92 -26.55 59.1 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.858 2.372 . . . . 2.2999999999999998 112.718 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -98.35 25.75 6.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.863 0.363 . . . . 3.52 110.954 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.43 139.83 37.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.956 -0.387 . . . . 3.5800000000000001 109.956 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.19 -16.58 39.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.36 -0.382 . . . . 1.55 111.791 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -71.82 -29.86 64.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.962 0.411 . . . . 2.7599999999999998 110.127 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 t -89.0 117.88 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.651 -0.704 . . . . 1.45 110.051 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.01 -44.0 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 1.51 110.186 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.32 156.64 26.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.408 -0.814 . . . . 1.1499999999999999 109.579 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -151.97 150.4 29.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.921 0.391 . . . . 2.5299999999999998 110.872 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 76.8 p -89.51 176.47 6.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.714 -0.847 . . . . 0.94999999999999996 108.714 169.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -90.37 164.22 14.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.501 -0.555 . . . . 3.3199999999999998 109.501 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -80.09 100.75 8.36 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.049 -0.723 . . . . 1.8999999999999999 109.049 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.2 pt -103.71 147.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.343 0.592 . . . . 1.1000000000000001 112.163 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.32 -171.96 32.29 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.174 -0.921 . . . . 0.79000000000000004 111.683 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.45 112.89 5.13 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.073 -0.584 . . . . 1.1499999999999999 112.595 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.16 -9.23 18.06 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.631 -0.795 . . . . 0.80000000000000004 112.55 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -106.99 156.0 19.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 2.3399999999999999 111.249 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -123.67 156.95 34.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.485 -0.78 . . . . 1.8600000000000001 109.691 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 t -153.15 141.22 20.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 1.8600000000000001 109.779 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 m -129.33 161.57 29.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 1.1899999999999999 111.012 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.43 ' C ' HD11 ' A' ' 97' ' ' LEU . 4.6 pp -142.98 159.77 41.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 1.1299999999999999 109.874 176.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -128.39 124.39 36.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 1.78 110.37 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.2 pp -121.1 154.86 35.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.777 -0.453 . . . . 1.1599999999999999 109.777 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.9 p30 -95.42 135.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.921 -0.4 . . . . 2.0800000000000001 109.921 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 17.8 Cg_exo -67.0 -12.24 35.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.792 2.328 . . . . 0.87 112.872 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.36 75.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.78 0.324 . . . . 1.23 110.697 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.72 ' HZ3' ' HH ' ' A' ' 109' ' ' TYR . 28.5 tptp -67.12 -31.57 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.304 -0.407 . . . . 3.5099999999999998 110.767 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.27 -17.71 44.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.839 0.352 . . . . 1.9199999999999999 111.014 -178.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.19 60.94 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.11 -0.495 . . . . 1.3999999999999999 110.472 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -167.97 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 2.04 111.813 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.5 -173.73 18.84 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.655 -1.26 . . . . 0.93999999999999995 113.742 -175.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.74 117.15 29.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.749 -0.463 . . . . 2.02 109.749 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.72 ' HH ' ' HZ3' ' A' ' 103' ' ' LYS . 40.6 m-85 -106.92 154.54 20.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.336 0.588 . . . . 0.87 112.038 -176.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' HZ1' ' HB2' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -142.28 154.79 45.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.521 -0.763 . . . . 2.1099999999999999 109.353 175.626 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 48.1 p90 -115.39 153.84 30.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.308 -0.627 . . . . 0.27000000000000002 109.308 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.21 167.17 18.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.571 0.582 . . . . 0.96999999999999997 112.571 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 44.9 t -96.23 124.59 40.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.444 -1.253 . . . . 0.17999999999999999 108.304 171.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.8 p -92.84 11.0 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.299 0.481 . . . . 1.1000000000000001 112.299 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -63.75 134.35 95.87 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.336 -0.616 . . . . 0.32000000000000001 109.336 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.16 107.79 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.107 2.538 . . . . 0.55000000000000004 113.324 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.93 -25.63 23.33 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.724 -0.671 . . . . 0.5 112.191 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -79.12 -36.4 40.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.544 0.212 . . . . 0.38 111.167 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.13 -30.9 61.31 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 116.17 -0.468 . . . . 0.60999999999999999 114.147 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.28 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.813 0.301 . . . . 1.5800000000000001 111.813 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 32.9 tp -120.16 -38.81 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 2.6200000000000001 111.435 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.3 mtt -90.51 72.76 6.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.947 0.403 . . . . 1.27 110.713 -174.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -147.12 149.08 32.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 1.1299999999999999 110.274 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.51 13.49 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.798 -0.637 . . . . 0.31 111.88 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -104.08 141.48 36.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 2.0499999999999998 111.107 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.21 114.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.209 -0.663 . . . . 1.77 109.209 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.9 m -116.72 141.21 48.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.583 -0.735 . . . . 1.6799999999999999 111.38 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 20.0 tp -80.6 125.11 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 2.0099999999999998 109.456 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.0 m -110.17 154.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.251 0.548 . . . . 1.1899999999999999 111.019 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 2.25 110.477 -175.847 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.565 0.222 . . . . 3.7200000000000002 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p -62.73 115.35 4.25 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.343 -0.39 . . . . 4.0199999999999996 110.658 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.601 ' HA ' ' OG ' ' A' ' 26' ' ' SER . . . 60.63 41.42 15.31 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.936 -0.575 . . . . 3.0600000000000001 110.604 -176.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.33 33.58 1.68 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.789 -0.72 . . . . 1.78 112.369 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -159.74 135.64 8.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.956 0.408 . . . . 2.8799999999999999 110.836 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.799 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 64.7 m -119.74 -16.03 8.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.017 -0.538 . . . . 0.76000000000000001 110.667 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -145.84 146.01 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.009 -0.541 . . . . 1.0700000000000001 110.386 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 140.02 50.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.221 -0.445 . . . . 1.0800000000000001 110.846 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 m -105.15 122.87 46.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.21 -0.45 . . . . 1.45 110.128 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.4 t -122.2 130.5 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.751 -0.462 . . . . 1.54 109.751 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.97 142.62 44.15 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.618 -0.512 . . . . 1.98 109.618 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -122.56 134.35 54.54 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.144 -0.687 . . . . 1.1799999999999999 109.144 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -113.83 -170.48 1.71 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.138 0.494 . . . . 1.79 111.832 -169.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.726 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 7.3 p-10 -84.05 5.56 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.703 -0.68 . . . . 2.2599999999999998 111.145 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' N ' HD21 ' A' ' 15' ' ' ASN . 0.9 OUTLIER -96.64 7.02 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.185 0.517 . . . . 2.0899999999999999 109.896 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.25 53.09 5.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.875 -1.057 . . . . 2.5299999999999998 111.176 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -155.56 154.54 31.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 2.3100000000000001 110.61 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 48.5 m-85 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.45000000000000001 109.869 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -61.61 -21.27 64.21 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.867 -0.606 . . . . 2.3100000000000001 111.931 176.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -138.39 160.89 38.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.188 0.518 . . . . 1.27 111.567 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -115.65 -7.0 12.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 2.8500000000000001 110.521 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 7.5 p-10 -143.62 136.04 27.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 2.0600000000000001 110.922 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 93.3 mt -128.91 130.28 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.706 -0.479 . . . . 1.1100000000000001 109.706 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -108.06 125.03 51.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.291 -0.413 . . . . 2.04 110.408 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -103.08 117.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.054 -0.521 . . . . 1.1000000000000001 110.404 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.601 ' OG ' ' HA ' ' A' ' 3' ' ' ALA . 47.2 t -74.7 125.54 28.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.007 -0.542 . . . . 1.73 110.747 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HD2' ' OD1' ' A' ' 130' ' ' ASP . 19.8 ptpt -75.78 -9.18 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.5600000000000001 110.362 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.56 -1.08 22.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.271 0.558 . . . . 1.1699999999999999 110.398 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.799 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 85.9 m -112.02 138.47 48.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.529 -0.76 . . . . 0.48999999999999999 109.612 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -74.75 -32.73 62.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.232 0.539 . . . . 3.98 109.798 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.93 139.91 45.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.587 -0.733 . . . . 2.0 109.987 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -117.87 124.24 47.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.317 -0.623 . . . . 0.39000000000000001 109.317 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 27.5 m -108.32 132.77 53.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 1.04 110.929 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -120.37 123.39 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.194 -0.457 . . . . 1.03 109.925 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -105.3 120.57 41.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.293 -0.412 . . . . 1.02 110.239 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.543 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 28.6 tp -106.63 129.28 54.57 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.064 -0.516 . . . . 1.05 109.698 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -129.13 128.37 43.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 3.0699999999999998 110.132 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.569 ' O ' ' HA2' ' A' ' 92' ' ' GLY . 0.9 OUTLIER -87.02 102.26 14.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.663 -0.699 . . . . 0.40999999999999998 110.066 -176.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 p -79.42 53.87 1.62 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.724 0.773 . . . . 2.0899999999999999 110.599 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.43 129.28 2.65 Favored Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 115.19 -0.914 . . . . 1.26 110.88 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -82.55 10.09 8.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.467 0.651 . . . . 2.2000000000000002 110.774 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.59 131.58 60.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 2.8100000000000001 110.467 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.09 157.68 55.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.569 2.846 . . . . 0.57999999999999996 112.426 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -69.76 -16.79 63.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.627 -0.715 . . . . 2.4900000000000002 112.077 -171.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -20.53 45.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.441 -0.345 . . . . 1.27 110.881 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -105.65 -46.79 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.449 . . . . 1.8600000000000001 110.782 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.726 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 47.2 ttm -152.07 80.59 1.26 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.296 0.57 . . . . 1.3200000000000001 110.102 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.47 158.2 19.36 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.795 -0.716 . . . . 0.14999999999999999 111.431 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.421 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 82.1 m-70 -131.27 151.46 51.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.357 -0.537 . . . . 0.16 111.058 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.729 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 30.3 t30 -151.71 136.0 16.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.263 -0.881 . . . . 1.48 109.078 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -111.49 115.56 29.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.047 0.451 . . . . 1.05 110.038 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 20.5 m -114.6 146.41 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.803 -0.635 . . . . 2.1299999999999999 110.528 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.0 mt -114.59 117.54 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.27 -0.423 . . . . 1.3100000000000001 109.868 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.56 172.72 12.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 1.0900000000000001 110.801 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -70.52 139.54 51.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.736 -0.665 . . . . 2.0499999999999998 110.381 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.87 -57.7 4.67 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.186 0.81 . . . . 1.25 113.186 -172.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -85.37 0.99 50.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.84 0.311 . . . . 2.8900000000000001 111.84 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -100.73 -7.88 23.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 2.1499999999999999 110.082 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 mmt -54.0 -35.44 61.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.581 -0.736 . . . . 1.1599999999999999 111.929 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.83 -44.92 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 2.27 110.822 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.28 -31.09 64.03 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.929 -0.653 . . . . 0.70999999999999996 111.533 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.91 -46.51 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.216 . . . . 1.23 110.536 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -65.79 -40.84 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.543 0.211 . . . . 0.60999999999999999 110.74 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -58.27 -54.87 42.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 3.5699999999999998 110.848 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . 1.9 m-20 -77.33 -15.44 59.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 2.2799999999999998 111.0 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.05 -48.16 8.63 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.118 -0.563 . . . . 0.54000000000000004 111.931 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.1 -32.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 1.6299999999999999 109.877 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.11 16.45 33.16 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.649 -0.705 . . . . 0.62 112.243 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.49 43.31 2.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.211 0.529 . . . . 1.0 110.161 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.62 -30.93 69.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.591 -0.731 . . . . 1.29 111.568 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.37 -11.95 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 2.4399999999999999 111.531 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.5 t -135.06 60.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.507 0.67 . . . . 2.0600000000000001 111.484 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.92 20.73 11.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.366 -0.834 . . . . 1.6599999999999999 112.898 170.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 60.77 33.34 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 1.2 111.257 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.05 141.0 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.281 -0.637 . . . . 2.0299999999999998 109.281 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HD2' ' HB3' ' A' ' 65' ' ' ASP . 83.5 tttt -84.7 118.14 70.35 Favored Pre-proline 0 C--N 1.319 -0.73 0 C-N-CA 120.825 -0.35 . . . . 3.0800000000000001 110.278 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.93 102.03 0.1 Allowed 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.595 2.197 . . . . 2.2999999999999998 110.844 173.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -176.89 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.44 -0.8 . . . . 3.52 109.719 -171.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 62.53 19.45 11.24 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.453 -1.249 . . . . 3.5800000000000001 113.036 171.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -94.11 -38.0 11.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.938 0.399 . . . . 1.55 110.656 176.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -89.56 -0.78 57.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.228 0.537 . . . . 2.7599999999999998 110.08 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.25 123.06 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.723 -0.672 . . . . 1.45 109.675 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -75.63 -42.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.126 0.489 . . . . 1.51 110.213 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.27 151.7 21.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.566 -0.743 . . . . 1.1499999999999999 109.915 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -154.95 140.47 17.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.887 0.375 . . . . 2.5299999999999998 111.138 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.401 HG22 HD22 ' A' ' 97' ' ' LEU . 32.2 p -83.18 -179.27 7.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.94999999999999996 109.431 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -105.22 155.3 19.19 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.726 -0.472 . . . . 3.3199999999999998 109.726 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 tp -66.29 115.57 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 1.8999999999999999 110.758 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.3 pt -113.95 138.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 1.1000000000000001 111.737 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -140.53 164.2 26.35 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.79000000000000004 112.066 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.37 20.89 63.81 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 114.49 0.556 . . . . 1.1499999999999999 114.49 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.569 ' HA2' ' O ' ' A' ' 38' ' ' HIS . . . 103.19 5.48 46.47 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.318 -0.944 . . . . 0.80000000000000004 113.503 176.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.07 166.57 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 2.3399999999999999 111.081 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.54 157.5 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.765 -0.652 . . . . 1.8600000000000001 110.778 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.2 t -154.65 151.55 28.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.311 -0.626 . . . . 1.8600000000000001 109.311 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -130.84 157.19 43.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.833 0.349 . . . . 1.1899999999999999 110.959 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.44 HD11 ' C ' ' A' ' 97' ' ' LEU . 4.4 pp -134.51 159.32 41.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 1.1299999999999999 109.907 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 m -133.39 124.67 27.55 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.293 -0.632 . . . . 1.78 109.293 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 pp -118.07 156.38 28.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.972 0.415 . . . . 1.1599999999999999 111.593 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 102' ' ' ALA . 31.9 t70 -94.61 112.51 58.12 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 2.0800000000000001 109.461 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.22 -12.58 33.38 Favored 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.808 2.339 . . . . 0.87 113.925 -173.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.415 ' HB2' ' OD2' ' A' ' 100' ' ' ASP . . . -70.73 -25.44 62.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.776 0.322 . . . . 1.23 110.747 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -67.72 -31.09 70.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 3.5099999999999998 110.905 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.42 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -85.6 2.58 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 1.9199999999999999 111.326 -175.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.93 -14.75 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.172 -0.467 . . . . 1.3999999999999999 110.523 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -116.98 66.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.071 -0.513 . . . . 2.04 111.004 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.49 172.57 13.27 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.538 -0.839 . . . . 0.93999999999999995 112.744 174.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -99.7 121.02 40.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.149 0.5 . . . . 2.02 109.891 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.42 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 51.7 m-85 -106.33 155.44 19.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.732 -0.667 . . . . 0.87 110.842 -177.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 124' ' ' GLY . 34.2 mtmt -131.92 163.05 29.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.056 -0.52 . . . . 2.1099999999999999 109.899 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.579 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 50.1 p90 -117.85 144.09 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.967 -0.753 . . . . 0.27000000000000002 108.967 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.89 163.15 38.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.919 0.39 . . . . 0.96999999999999997 111.826 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.729 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 14.9 t -96.43 119.87 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.296 -0.865 . . . . 0.17999999999999999 108.799 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -86.57 10.25 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.051 0.389 . . . . 1.1000000000000001 112.051 -174.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -69.18 133.02 89.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.765 -0.828 . . . . 0.32000000000000001 108.765 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.32 116.61 3.27 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.708 2.272 . . . . 0.55000000000000004 112.905 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.77 -12.37 65.97 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.738 -0.665 . . . . 0.5 112.143 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -91.73 -27.32 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.86 0.318 . . . . 0.38 111.86 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.84 -41.25 58.25 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.285 -0.483 . . . . 0.60999999999999999 113.245 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.53 65.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.945 0.35 . . . . 1.5800000000000001 111.945 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.1 mt -101.32 -16.65 16.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.052 0.453 . . . . 2.6200000000000001 111.292 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.528 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 9.3 mtm -130.98 81.26 1.98 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 1.27 111.375 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.31 143.37 23.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 1.1299999999999999 109.478 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 110' ' ' LYS . . . -154.35 -176.07 26.25 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.058 -0.591 . . . . 0.31 111.952 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 22.4 tptm -103.71 136.26 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 2.0499999999999998 111.39 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -123.49 118.33 54.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.349 -0.611 . . . . 1.77 109.349 173.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -122.39 141.95 51.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.883 -0.599 . . . . 1.6799999999999999 111.347 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.46 131.34 36.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 2.0099999999999998 109.978 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.6 m -120.74 155.16 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.452 . . . . 1.1899999999999999 110.818 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' HD2' ' A' ' 27' ' ' LYS . 22.0 t70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.625 -0.716 . . . . 2.25 110.492 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.673 0.273 . . . . 3.7200000000000002 110.44 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 t -72.52 -18.35 61.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.341 -0.39 . . . . 4.0199999999999996 111.213 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.64 34.85 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.077 0.465 . . . . 3.0600000000000001 110.457 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.25 29.14 0.98 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.624 -0.798 . . . . 1.78 112.665 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -101.0 133.99 44.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.839 0.352 . . . . 2.8799999999999999 110.117 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.5 m -114.57 -9.47 12.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.251 -0.431 . . . . 0.76000000000000001 111.603 -175.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.29 149.58 29.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.416 -0.356 . . . . 1.0700000000000001 110.586 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.8 148.21 33.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.146 -0.479 . . . . 1.0800000000000001 110.618 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 m -114.97 126.09 54.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.282 -0.417 . . . . 1.45 110.049 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.9 t -118.0 129.08 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.897 0.379 . . . . 1.54 110.38 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -100.91 130.87 46.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.065 -0.516 . . . . 1.98 110.619 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 8.7 p -116.76 137.03 52.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.64 -0.504 . . . . 1.1799999999999999 109.64 175.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.581 HD22 ' HG2' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -122.9 170.38 10.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.555 -0.293 . . . . 1.79 110.78 -175.43 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.92 2.25 18.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.113 0.412 . . . . 2.2599999999999998 112.113 -176.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -91.52 10.23 28.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 2.0899999999999999 110.722 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp 63.1 69.37 0.58 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.258 -0.883 . . . . 2.5299999999999998 112.199 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.581 ' HG2' HD22 ' A' ' 13' ' ' ASN . 13.1 pt20 -160.16 157.62 28.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.919 0.39 . . . . 2.3100000000000001 110.629 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.22 146.06 26.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.483 -0.78 . . . . 0.45000000000000001 109.065 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.53 -31.18 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 2.3100000000000001 110.787 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 t -126.02 150.99 47.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.732 -0.47 . . . . 1.27 109.732 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -103.0 -16.05 15.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.002 0.43 . . . . 2.8500000000000001 110.601 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -135.95 142.24 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.023 -0.535 . . . . 2.0600000000000001 110.095 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.87 129.05 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 1.1100000000000001 110.01 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -108.35 125.04 51.26 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.081 -0.508 . . . . 2.04 110.085 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.83 120.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.86 -0.609 . . . . 1.1000000000000001 110.434 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.4 m -81.34 120.4 24.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 1.73 111.138 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 101' ' ' PRO . 21.9 ptmt -67.83 -18.28 64.78 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.904 -0.589 . . . . 1.5600000000000001 111.171 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.52 -8.18 38.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 1.1699999999999999 111.215 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 86.2 m -97.41 140.72 31.43 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.866 -0.606 . . . . 0.48999999999999999 109.968 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.48 -31.85 67.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 3.98 110.19 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.1 144.28 25.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 2.0 109.964 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -117.3 128.82 55.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.197 -0.668 . . . . 0.39000000000000001 109.197 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 89.5 m -116.91 134.59 54.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.057 0.456 . . . . 1.04 110.91 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -122.88 125.28 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 1.03 109.83 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 m -106.92 122.32 46.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 1.02 110.771 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -97.32 124.11 41.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.866 -0.607 . . . . 1.05 110.017 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' A' ' 94' ' ' GLU . 57.1 tptt -116.16 110.06 18.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.638 -0.504 . . . . 3.0699999999999998 109.638 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' HD2' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -92.94 99.95 12.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.40999999999999998 110.321 -177.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -78.81 147.24 33.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.796 -0.638 . . . . 2.0899999999999999 109.472 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 -168.49 23.16 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.785 -0.721 . . . . 1.26 111.9 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.1 m -126.71 -24.43 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.765 0.283 . . . . 2.2000000000000002 111.765 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.63 137.2 92.78 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.063 0.459 . . . . 2.8100000000000001 111.982 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -73.15 159.63 47.05 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 123.235 2.623 . . . . 0.57999999999999996 112.254 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -63.79 -25.99 68.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.243 -0.889 . . . . 2.4900000000000002 113.169 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.5 53.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.779 0.323 . . . . 1.27 111.347 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -101.62 -52.42 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 1.8600000000000001 110.262 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.5 tpp -136.77 65.87 1.49 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.535 0.683 . . . . 1.3200000000000001 109.23 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.18 156.08 22.64 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.122 -0.945 . . . . 0.14999999999999999 111.674 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.473 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 89.2 m-70 -136.57 148.13 47.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.866 0.365 . . . . 0.16 110.702 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -140.43 167.39 22.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.892 -0.781 . . . . 1.48 108.892 168.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -130.22 110.33 11.48 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.833 -0.803 . . . . 1.05 108.833 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.612 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.3 m -109.62 142.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.84 -0.618 . . . . 2.1299999999999999 110.261 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 110' ' ' LYS . 43.5 mt -119.83 122.44 68.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.949 0.404 . . . . 1.3100000000000001 109.975 176.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.42 161.18 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.631 -0.713 . . . . 1.0900000000000001 110.643 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -68.78 123.39 20.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.495 -0.775 . . . . 2.0499999999999998 109.573 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.27 15.14 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.222 0.823 . . . . 1.25 113.222 -169.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.96 -32.37 67.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 2.8900000000000001 111.958 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 5.8 m-20 -102.98 -5.57 23.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.058 0.456 . . . . 2.1499999999999999 110.507 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.779 ' SD ' ' HB2' ' A' ' 110' ' ' LYS . 22.0 ttt -75.0 -24.33 58.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 1.1599999999999999 111.168 -175.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.85 -42.66 89.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 2.27 109.832 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.55 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.316 -0.856 . . . . 0.70999999999999996 112.222 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 59' ' ' MET . 75.9 t -72.7 -44.89 59.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.608 0.242 . . . . 1.23 110.548 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.529 ' O ' HG22 ' A' ' 67' ' ' VAL . 79.4 m-85 -62.4 -49.74 74.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.60999999999999999 110.478 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.18 -38.4 91.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.642 -0.708 . . . . 3.5699999999999998 111.257 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -73.56 -39.79 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.953 0.406 . . . . 2.2799999999999998 110.603 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.47 -30.98 77.46 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.71 -0.677 . . . . 0.54000000000000004 113.341 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 63' ' ' PHE . 81.1 t -60.17 -33.17 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.002 0.429 . . . . 1.6299999999999999 110.696 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.38 -8.29 85.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.62 112.428 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' HB3' ' OG1' ' A' ' 72' ' ' THR . . . -106.71 49.8 0.79 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.962 0.411 . . . . 1.0 110.815 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.61 -31.97 71.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 1.29 111.821 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -80.21 -17.07 53.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.19 -0.459 . . . . 2.4399999999999999 111.777 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.461 ' OG1' ' HB3' ' A' ' 69' ' ' ALA . 22.6 p -117.38 52.63 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.89 0.376 . . . . 2.0600000000000001 111.429 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 62.02 22.53 13.15 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.761 -0.654 . . . . 1.6599999999999999 112.072 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 60.04 32.27 20.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.3 0.571 . . . . 1.2 111.494 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.72 144.64 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.53 -0.915 . . . . 2.0299999999999998 108.53 172.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -86.33 128.86 55.66 Favored Pre-proline 0 C--N 1.317 -0.846 0 C-N-CA 120.6 -0.44 . . . . 3.0800000000000001 110.135 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.53 68.89 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.807 2.338 . . . . 2.2999999999999998 111.323 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -153.97 -45.59 0.09 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.151 -0.931 . . . . 3.52 109.286 -174.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 51.16 56.59 7.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.43 -0.805 . . . . 3.5800000000000001 112.328 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.77 -35.94 15.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.961 -0.563 . . . . 1.55 110.328 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 58' ' ' ASP . 78.9 mtt180 -102.87 -23.58 13.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.07 -0.514 . . . . 2.7599999999999998 110.244 177.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.7 t -87.14 128.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.712 -0.676 . . . . 1.45 110.408 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.99 -40.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 1.51 110.228 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.96 150.5 22.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.758 -0.656 . . . . 1.1499999999999999 110.47 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -155.29 142.99 19.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 2.5299999999999998 111.031 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.41 HG22 HD23 ' A' ' 97' ' ' LEU . 72.0 p -91.01 167.9 12.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.532 -0.544 . . . . 0.94999999999999996 109.532 172.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -93.85 161.51 14.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.335 -0.393 . . . . 3.3199999999999998 109.985 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.05 115.55 6.21 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.223 0.535 . . . . 1.8999999999999999 110.74 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 20.0 pt -114.33 137.61 47.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.396 -0.82 . . . . 1.1000000000000001 111.003 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.42 -173.09 48.23 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.73 -0.668 . . . . 0.79000000000000004 112.122 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.57 111.52 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.102 -0.57 . . . . 1.1499999999999999 112.755 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.94 -16.95 22.82 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.182 -0.532 . . . . 0.80000000000000004 112.09 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.428 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 43.1 mt-10 -86.87 171.02 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 2.3399999999999999 111.635 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.411 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 11.3 pt-20 -153.97 148.19 25.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.547 -0.751 . . . . 1.8600000000000001 110.328 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -154.46 148.96 26.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.261 -0.644 . . . . 1.8600000000000001 109.261 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -122.96 159.25 28.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.951 0.405 . . . . 1.1899999999999999 111.349 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.444 HD13 ' C ' ' A' ' 97' ' ' LEU . 4.2 pp -130.94 162.54 29.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.766 -0.652 . . . . 1.1299999999999999 109.706 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -139.78 133.2 30.08 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.234 -0.284 . . . . 1.78 110.234 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.78 161.96 34.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 1.1599999999999999 111.378 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -97.33 114.85 65.42 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 115.842 -0.617 . . . . 2.0800000000000001 110.071 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.431 ' HB2' ' HA ' ' A' ' 27' ' ' LYS . 50.7 Cg_exo -53.66 -26.88 39.62 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.401 2.734 . . . . 0.87 113.324 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.43 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 1.23 111.255 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -77.34 -25.64 51.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.076 0.465 . . . . 3.5099999999999998 110.817 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.59 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.9 mp -84.52 -6.67 59.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 1.9199999999999999 110.777 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.49 -3.32 42.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.861 -0.609 . . . . 1.3999999999999999 111.446 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -86.5 -16.59 36.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 2.04 112.156 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.63 -160.92 26.47 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 119.842 -1.171 . . . . 0.93999999999999995 113.162 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -94.71 120.68 35.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.56 0.695 . . . . 2.02 110.72 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 11.6 m-85 -106.47 155.07 19.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.303 -0.862 . . . . 0.87 110.497 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.779 ' HB2' ' SD ' ' A' ' 59' ' ' MET . 40.1 mtpt -126.84 162.74 25.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.201 -0.454 . . . . 2.1099999999999999 110.308 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.612 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.4 p90 -126.34 142.56 51.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.578 -0.897 . . . . 0.27000000000000002 108.578 172.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.64 167.39 23.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.053 0.454 . . . . 0.96999999999999997 111.785 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 19.9 t -99.88 119.36 38.08 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.061 -1.088 . . . . 0.17999999999999999 108.061 173.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.4 p -86.62 5.81 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.159 0.429 . . . . 1.1000000000000001 112.159 -172.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.18 125.83 89.02 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.04 -0.726 . . . . 0.32000000000000001 109.04 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.84 115.1 2.11 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.829 2.353 . . . . 0.55000000000000004 112.517 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.13 48.11 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.928 -0.653 . . . . 0.5 111.814 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.8 m170 -107.96 -30.04 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.008 0.373 . . . . 0.38 112.008 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.25 -16.66 67.25 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.24 -0.505 . . . . 0.60999999999999999 114.084 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.71 -33.55 64.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.176 0.488 . . . . 1.5800000000000001 111.388 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 66.4 tp -107.6 -42.0 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.979 0.419 . . . . 2.6200000000000001 110.78 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 118' ' ' HIS . 10.4 mtm -82.01 74.92 8.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 1.27 111.129 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -150.96 143.45 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.714 -0.675 . . . . 1.1299999999999999 110.242 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -155.66 -176.03 27.36 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.927 -0.579 . . . . 0.31 111.673 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.427 ' HD2' ' HG2' ' A' ' 110' ' ' LYS . 12.3 mmmm -105.77 140.71 38.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 2.0499999999999998 111.916 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.3 t -107.96 111.74 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 1.77 108.688 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.4 m -99.28 124.72 44.59 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.162 -0.472 . . . . 1.6799999999999999 110.934 -173.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 27' ' ' LYS . 1.4 tm? -85.12 108.03 17.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.189 -0.671 . . . . 2.0099999999999998 109.189 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 23.0 m -108.53 173.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.266 -0.425 . . . . 1.1899999999999999 110.731 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 2.25 111.147 179.839 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.661 0.267 . . . . 3.7200000000000002 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 m -58.73 118.21 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 4.0199999999999996 111.725 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.62 19.61 10.58 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.816 -0.629 . . . . 3.0600000000000001 111.673 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.62 -43.97 0.23 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.65 -0.786 . . . . 1.78 111.979 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -95.09 112.22 23.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.633 0.254 . . . . 2.8799999999999999 110.547 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 80.6 m -105.02 9.89 34.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.351 0.596 . . . . 0.76000000000000001 109.564 174.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.76 159.92 43.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 1.0700000000000001 110.366 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.9 141.38 26.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.143 -0.48 . . . . 1.0800000000000001 109.958 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.2 m -111.69 119.4 38.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.991 0.424 . . . . 1.45 110.787 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.74 140.27 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.789 -0.642 . . . . 1.54 109.647 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -114.41 134.03 55.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.895 0.378 . . . . 1.98 110.783 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 p -118.96 136.68 53.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.728 -0.669 . . . . 1.1799999999999999 109.507 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -116.35 172.19 7.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.591 0.234 . . . . 1.79 111.265 -175.465 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.79 -5.7 32.15 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.08 -0.509 . . . . 2.2599999999999998 111.18 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.9 15.98 11.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.029 0.443 . . . . 2.0899999999999999 110.866 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 87.7 mtp 58.56 61.73 2.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.173 -0.921 . . . . 2.5299999999999998 112.59 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HG2' HD22 ' A' ' 13' ' ' ASN . 19.2 pt20 -166.76 155.82 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.991 0.424 . . . . 2.3100000000000001 111.233 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -91.56 153.13 19.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.935 -1.03 . . . . 0.45000000000000001 108.734 172.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -77.51 -5.19 49.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.702 0.286 . . . . 2.3100000000000001 111.204 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 t -151.08 149.19 29.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 1.27 110.42 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -114.91 9.38 16.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.306 -0.406 . . . . 2.8500000000000001 110.582 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.72 127.58 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 2.0600000000000001 111.056 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.52 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 92.9 mt -132.92 125.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.029 -0.532 . . . . 1.1100000000000001 109.743 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -107.91 124.12 49.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.113 -0.494 . . . . 2.04 110.398 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -102.71 117.13 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.878 -0.601 . . . . 1.1000000000000001 109.721 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -78.75 122.87 26.57 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.175 -0.466 . . . . 1.73 110.556 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -73.77 -2.05 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 1.5600000000000001 110.792 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.43 -4.24 58.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 1.1699999999999999 110.12 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 101' ' ' PRO . 63.7 m -111.34 145.61 38.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.661 -0.7 . . . . 0.48999999999999999 109.405 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.58 -27.88 19.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 3.98 110.923 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.4 127.43 31.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.392 -0.367 . . . . 2.0 110.313 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.0 t80 -124.51 122.54 37.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.601 -0.518 . . . . 0.39000000000000001 109.601 178.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 82.0 m -110.52 131.26 55.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.165 -0.47 . . . . 1.04 111.247 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.02 122.89 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.111 -0.495 . . . . 1.03 109.72 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -108.62 124.47 50.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.162 -0.472 . . . . 1.02 110.608 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.07 123.03 45.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.158 -0.474 . . . . 1.05 110.298 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -110.4 109.93 20.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.651 -0.5 . . . . 3.0699999999999998 109.651 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.45 91.64 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 0.40999999999999998 109.511 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 13' ' ' ASN . 20.0 p -76.09 119.95 20.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.088 -0.96 . . . . 2.0899999999999999 109.413 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.01 -175.02 34.61 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.711 -0.757 . . . . 1.26 111.848 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -138.54 25.93 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 2.2000000000000002 111.686 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.07 146.54 32.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 2.8100000000000001 111.013 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.13 149.0 51.38 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 123.115 2.544 . . . . 0.57999999999999996 112.676 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.38 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.535 -0.757 . . . . 2.4900000000000002 111.839 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.51 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 1.27 111.645 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -129.22 -34.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.463 -0.335 . . . . 1.8600000000000001 110.914 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 42.8 tpp -118.24 48.78 1.35 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.792 0.806 . . . . 1.3200000000000001 109.744 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.15 151.84 21.3 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 110.433 -1.067 . . . . 0.14999999999999999 110.433 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.455 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 87.8 m-70 -132.69 148.69 52.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.587 -0.445 . . . . 0.16 110.48 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.702 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 21.0 t30 -148.17 135.63 20.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.482 -0.781 . . . . 1.48 109.19 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 tt -107.19 112.99 26.14 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.584 -0.525 . . . . 1.05 109.584 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 11.6 p -110.44 145.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 2.1299999999999999 110.301 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 83' ' ' VAL . 28.6 mm -112.29 119.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 1.3100000000000001 109.669 177.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.75 169.85 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.135 -0.484 . . . . 1.0900000000000001 110.231 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -69.43 145.9 52.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.704 -0.225 . . . . 2.0499999999999998 110.936 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.51 -54.02 38.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.869 0.366 . . . . 1.25 111.283 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.34 -14.49 62.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 2.8900000000000001 111.919 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -99.89 -8.07 24.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.294 0.569 . . . . 2.1499999999999999 110.117 -174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mmt -59.07 -32.65 69.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.45 -0.795 . . . . 1.1599999999999999 111.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.14 -43.11 87.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 2.27 110.774 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.08 -30.82 67.17 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.744 -0.741 . . . . 0.70999999999999996 111.837 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.12 -46.31 72.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.456 0.17 . . . . 1.23 110.668 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.53 ' O ' HG22 ' A' ' 67' ' ' VAL . 29.6 m-85 -66.76 -44.07 82.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.726 -0.215 . . . . 0.60999999999999999 111.013 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.34 -54.6 44.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.764 0.316 . . . . 3.5699999999999998 111.326 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.19 -16.38 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.926 0.393 . . . . 2.2799999999999998 110.834 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.27 -42.73 41.47 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.718 -0.673 . . . . 0.54000000000000004 112.279 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 63' ' ' PHE . 58.9 t -58.53 -29.18 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 1.6299999999999999 110.922 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.89 8.22 80.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.809 -0.71 . . . . 0.62 112.703 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -124.16 53.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.043 0.449 . . . . 1.0 110.718 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' HA ' ' CE1' ' A' ' 74' ' ' TYR . . . -57.16 -37.91 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.62 . . . . 1.29 112.001 -175.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.05 -18.02 59.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 2.4399999999999999 111.404 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.525 ' O ' HG21 ' A' ' 75' ' ' VAL . 2.9 m -112.48 49.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.117 0.484 . . . . 2.0600000000000001 110.538 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' HA ' ' HG ' ' A' ' 88' ' ' LEU . 34.4 m-20 59.52 19.97 8.43 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.506 -0.77 . . . . 1.6599999999999999 112.205 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD2' HD13 ' A' ' 88' ' ' LEU . 62.6 m-85 59.89 39.45 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 1.2 111.195 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.525 HG21 ' O ' ' A' ' 72' ' ' THR . 28.0 m -126.87 147.31 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.384 -0.598 . . . . 2.0299999999999998 109.384 172.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -68.39 126.31 92.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.443 -0.344 . . . . 3.0800000000000001 110.208 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.63 -11.6 14.84 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.318 2.679 . . . . 2.2999999999999998 113.562 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -88.9 109.95 20.66 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.647 -0.501 . . . . 3.52 109.647 174.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -76.78 50.4 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 3.5800000000000001 111.304 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -103.5 -28.93 11.47 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.152 0.501 . . . . 1.55 110.262 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -102.16 -28.21 12.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 2.7599999999999998 110.606 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -102.45 120.08 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 1.45 110.301 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 53' ' ' ILE . 10.7 p -91.33 -26.12 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.939 0.4 . . . . 1.51 110.199 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.45 148.07 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 1.1499999999999999 110.459 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -156.44 151.19 25.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 2.5299999999999998 110.659 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.0 p -88.57 -177.92 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.6 . . . . 0.94999999999999996 109.819 173.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -95.83 151.69 19.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.905 -0.405 . . . . 3.3199999999999998 109.905 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.47 ' HG ' ' HA ' ' A' ' 73' ' ' ASP . 14.3 mt -61.0 108.68 0.91 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.365 -0.379 . . . . 1.8999999999999999 110.23 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.1 pt -111.45 136.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 116.06 -0.518 . . . . 1.1000000000000001 111.779 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.92 -172.77 49.03 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.403 -0.817 . . . . 0.79000000000000004 111.842 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.27 122.87 28.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.958 -0.639 . . . . 1.1499999999999999 112.839 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.74 2.22 63.16 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.80000000000000004 112.277 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -105.15 165.99 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.8 0.333 . . . . 2.3399999999999999 111.324 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -143.43 154.16 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 1.8600000000000001 110.593 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 t -154.42 149.6 26.98 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.378 -0.601 . . . . 1.8600000000000001 109.378 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -132.13 157.88 43.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.88 0.371 . . . . 1.1899999999999999 111.254 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 97' ' ' LEU . 4.6 pp -138.32 156.11 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 1.1299999999999999 109.568 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.1 m -131.8 132.39 43.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.704 -0.48 . . . . 1.78 109.704 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.26 155.41 48.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.006 0.431 . . . . 1.1599999999999999 111.468 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.59 119.2 71.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 2.0800000000000001 109.171 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.621 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 53.2 Cg_exo -53.31 -32.49 61.51 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.416 2.744 . . . . 0.87 113.895 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.07 -13.4 62.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.954 0.406 . . . . 1.23 111.308 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -85.13 0.55 51.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.463 . . . . 3.5099999999999998 110.423 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 109' ' ' TYR . 10.9 mp -112.72 18.93 17.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 1.9199999999999999 110.274 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.74 1.98 53.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.934 -0.576 . . . . 1.3999999999999999 111.423 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.484 ' HB2' ' HH ' ' A' ' 109' ' ' TYR . 4.0 m-20 -86.79 19.38 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.796 0.295 . . . . 2.04 111.796 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.38 -149.23 18.58 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.145 -1.026 . . . . 0.93999999999999995 113.152 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.72 121.39 29.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.988 0.423 . . . . 2.02 110.571 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 104' ' ' LEU . 7.8 m-85 -106.52 153.36 22.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.787 -0.642 . . . . 0.87 110.669 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -130.22 156.55 44.42 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.756 -0.656 . . . . 2.1099999999999999 109.489 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 47.8 p90 -116.44 135.46 53.82 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.674 -1.232 . . . . 0.27000000000000002 107.674 170.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.72 160.46 43.83 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.438 -0.505 . . . . 0.96999999999999997 111.48 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.702 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 17.4 t -94.44 116.23 28.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.921 -1.036 . . . . 0.17999999999999999 108.666 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.0 p -84.13 9.56 12.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.031 0.382 . . . . 1.1000000000000001 112.031 -173.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -68.42 131.14 91.82 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.082 -0.711 . . . . 0.32000000000000001 109.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.48 114.67 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.977 2.451 . . . . 0.55000000000000004 112.9 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.89 -20.83 46.21 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.5 111.824 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -83.97 -40.32 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.554 0.216 . . . . 0.38 110.956 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.87 -21.0 58.07 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-N 116.22 -0.445 . . . . 0.60999999999999999 113.949 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -26.44 67.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 1.5800000000000001 111.264 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 tp -122.29 -39.78 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 2.6200000000000001 111.124 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 5.8 mtm -80.16 77.88 6.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.492 . . . . 1.27 111.342 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -152.35 145.46 24.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.516 -0.765 . . . . 1.1299999999999999 109.92 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.51 -171.94 15.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.043 -0.598 . . . . 0.31 111.67 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -105.27 130.04 53.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.796 0.332 . . . . 2.0499999999999998 111.203 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 4.7 p -121.76 116.81 50.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.814 -0.81 . . . . 1.77 108.814 173.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.3 m -121.16 138.51 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.812 -0.631 . . . . 1.6799999999999999 111.667 -170.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.39 118.82 20.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.634 -0.712 . . . . 2.0099999999999998 109.172 173.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 30.1 m -119.49 163.25 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.14 0.495 . . . . 1.1899999999999999 111.047 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.704 -0.68 . . . . 2.25 110.117 178.627 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.652 0.263 . . . . 3.7200000000000002 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.1 t -143.08 159.26 42.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.53 0.205 . . . . 4.0199999999999996 110.748 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 75.0 -19.55 0.38 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.796 0.838 . . . . 3.0600000000000001 112.877 175.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.74 27.25 7.62 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.433 -0.889 . . . . 1.78 112.493 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -98.53 113.65 25.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.834 0.349 . . . . 2.8799999999999999 110.683 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 62.8 m -105.98 -19.38 13.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.847 -0.615 . . . . 0.76000000000000001 109.856 175.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.25 143.92 24.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.605 -0.725 . . . . 1.0700000000000001 110.2 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.13 149.35 42.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.175 -0.466 . . . . 1.0800000000000001 110.427 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.9 m -120.74 138.36 54.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.316 -0.402 . . . . 1.45 110.297 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.67 135.78 56.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.956 -0.566 . . . . 1.54 110.142 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.515 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 34.6 tt0 -104.42 141.79 35.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.962 -0.563 . . . . 1.98 110.604 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -125.1 136.32 53.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.759 -0.655 . . . . 1.1799999999999999 109.554 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -117.3 -172.78 2.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.45 -0.341 . . . . 1.79 110.786 -174.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -84.9 9.37 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.309 . . . . 2.2599999999999998 111.308 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -102.9 12.48 36.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.885 0.374 . . . . 2.0899999999999999 110.426 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.419 ' HB3' ' HE3' ' A' ' 122' ' ' MET . 67.3 mtt 61.59 53.87 3.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.249 -0.887 . . . . 2.5299999999999998 111.735 176.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -152.63 157.08 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.939 0.399 . . . . 2.3100000000000001 111.098 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 57.6 m-85 -101.53 154.3 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.031 -1.1 . . . . 0.45000000000000001 108.031 169.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 11' ' ' GLU . 93.8 m-20 -84.07 18.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.728 -0.389 . . . . 2.3100000000000001 111.483 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -166.56 141.85 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.151 -0.477 . . . . 1.27 109.886 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -110.83 8.41 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.045 0.45 . . . . 2.8500000000000001 110.244 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -134.07 128.23 33.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.834 -0.621 . . . . 2.0600000000000001 111.256 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.7 mt -131.43 126.9 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.655 -0.702 . . . . 1.1100000000000001 109.201 172.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -108.11 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.034 0.445 . . . . 2.04 110.838 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.2 t -97.77 119.26 45.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.941 -0.572 . . . . 1.1000000000000001 109.67 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -85.05 117.9 24.3 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.183 -0.462 . . . . 1.73 110.547 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -69.55 -17.59 63.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 1.5600000000000001 110.834 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 1.53 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.891 -0.595 . . . . 1.1699999999999999 110.882 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 71.8 m -105.71 139.02 40.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.921 -0.582 . . . . 0.48999999999999999 109.571 177.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.83 -45.61 88.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.99 -0.55 . . . . 3.98 111.007 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.41 149.48 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 2.0 109.899 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 43.0 t80 -122.02 128.57 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.674 0.273 . . . . 0.39000000000000001 110.52 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 90.8 m -116.11 133.04 56.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.04 0.447 . . . . 1.04 111.309 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -117.28 130.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.993 -0.549 . . . . 1.03 109.994 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.1 m -112.96 126.12 55.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 1.02 110.866 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.6 tp -103.69 123.79 47.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.463 . . . . 1.05 109.929 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -111.84 113.44 25.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.27 -0.423 . . . . 3.0699999999999998 110.537 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.59 97.19 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.163 0.506 . . . . 0.40999999999999998 109.793 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -80.8 -1.37 42.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.31 -0.859 . . . . 2.0899999999999999 111.446 -175.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -91.15 124.73 7.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.682 -0.77 . . . . 1.26 112.073 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 m -81.86 66.83 7.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.419 0.628 . . . . 2.2000000000000002 110.763 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -135.91 140.32 33.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.528 -0.76 . . . . 2.8100000000000001 109.62 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.86 150.4 88.47 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.016 2.478 . . . . 0.57999999999999996 112.152 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -67.74 -18.95 65.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 2.4900000000000002 112.108 -169.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.91 -11.82 56.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.822 0.344 . . . . 1.27 111.297 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -110.91 -49.1 3.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 1.8600000000000001 110.498 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.9 tpp -137.5 62.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 1.3200000000000001 109.543 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.04 153.73 22.05 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.368 -0.833 . . . . 0.14999999999999999 111.184 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 90.1 m-70 -135.38 148.15 49.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.777 0.323 . . . . 0.16 110.53 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.4 p-10 -146.22 155.6 42.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 1.48 109.529 173.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 9.9 tt -116.46 111.16 19.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.681 -0.488 . . . . 1.05 109.681 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 61.3 t -110.99 135.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.56 -0.745 . . . . 2.1299999999999999 110.698 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.68 122.95 71.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 116.358 -0.383 . . . . 1.3100000000000001 110.871 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.484 ' HB1' ' SD ' ' A' ' 59' ' ' MET . . . -146.07 167.06 24.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.824 -0.625 . . . . 1.0900000000000001 110.33 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.77 142.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.061 0.458 . . . . 2.0499999999999998 110.695 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.17 -26.12 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.302 -0.863 . . . . 1.25 112.415 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.5 -17.05 49.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.855 0.317 . . . . 2.8900000000000001 111.855 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 16.8 m-20 -123.96 11.5 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.797 0.295 . . . . 2.1499999999999999 111.797 -177.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.484 ' SD ' ' HB1' ' A' ' 54' ' ' ALA . 13.6 tpt -66.6 -37.35 84.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.381 -0.372 . . . . 1.1599999999999999 111.042 -175.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 27.8 t70 -63.2 -41.0 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 2.27 110.847 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.98 -31.01 79.52 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.70999999999999996 111.786 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 58' ' ' ASP . 74.4 t -62.61 -41.89 93.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.646 0.26 . . . . 1.23 110.701 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -64.39 -35.11 79.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.60999999999999999 110.608 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 73.8 mmtt -63.97 -38.2 90.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 3.5699999999999998 110.48 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -75.31 -36.72 61.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 2.2799999999999998 110.111 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.63 65.75 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.349 -0.841 . . . . 0.54000000000000004 113.257 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.27 -17.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.259 0.552 . . . . 1.6299999999999999 110.869 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.02 6.9 54.39 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.811 -0.709 . . . . 0.62 112.916 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.4 58.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 1.0 111.667 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -13.84 62.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 1.29 110.778 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.53 -45.74 73.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.336 -0.847 . . . . 2.4399999999999999 111.79 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.1 p -102.22 -89.92 0.36 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.051 0.453 . . . . 2.0600000000000001 111.491 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -143.65 35.09 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 1.6599999999999999 109.193 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.453 ' CD2' HD12 ' A' ' 88' ' ' LEU . 71.9 m-85 62.23 46.53 6.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.456 -0.793 . . . . 1.2 110.134 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m -149.13 131.24 5.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 114.471 -1.24 . . . . 2.0299999999999998 108.709 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' A' ' 78' ' ' ASP . 23.0 pttm -75.75 132.13 75.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 119.804 -0.759 . . . . 3.0800000000000001 109.927 -178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.76 30.6 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.299 2.666 . . . . 2.2999999999999998 114.24 -172.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 76' ' ' LYS . 11.1 m-20 -88.34 -32.1 18.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.182 -0.673 . . . . 3.52 109.182 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 46.29 48.74 13.24 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.682 0.614 . . . . 3.5800000000000001 112.323 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.46 -61.72 1.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.394 -0.367 . . . . 1.55 110.546 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 98.6 mtt180 -73.3 -22.98 60.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.353 0.597 . . . . 2.7599999999999998 110.039 177.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.89 112.32 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.347 -0.842 . . . . 1.45 109.431 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.14 -39.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.171 -0.468 . . . . 1.51 110.584 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.37 152.94 31.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.956 -0.566 . . . . 1.1499999999999999 110.501 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.445 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 10.8 p80 -163.18 138.43 6.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.492 -0.322 . . . . 2.5299999999999998 110.748 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.6 p -85.97 159.06 19.73 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.756 -0.461 . . . . 0.94999999999999996 109.756 174.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -81.73 153.3 26.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.23 -0.441 . . . . 3.3199999999999998 109.842 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 74' ' ' TYR . 26.5 mt -59.66 129.74 43.4 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.073 -0.512 . . . . 1.8999999999999999 110.895 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 pt -127.61 137.29 58.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.911 -0.586 . . . . 1.1000000000000001 111.284 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.9 -147.98 20.54 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.48 -0.782 . . . . 0.79000000000000004 112.279 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -67.28 123.46 20.69 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.131 -0.557 . . . . 1.1499999999999999 112.914 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.88 20.88 77.47 Favored Glycine 0 CA--C 1.51 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.80000000000000004 112.353 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -115.71 153.02 32.11 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.736 -0.468 . . . . 2.3399999999999999 109.736 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.53 147.73 39.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.971 0.415 . . . . 1.8600000000000001 110.253 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 p -133.85 150.74 51.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.087 -0.506 . . . . 1.8600000000000001 109.853 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.4 p -141.58 146.46 36.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.855 0.359 . . . . 1.1899999999999999 110.684 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 pp -129.43 153.16 48.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.051 -0.522 . . . . 1.1299999999999999 109.758 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.6 m -126.54 117.62 23.2 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.288 -0.634 . . . . 1.78 109.288 174.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.26 160.4 19.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.04 -0.527 . . . . 1.1599999999999999 111.182 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.409 ' OD2' ' HB2' ' A' ' 102' ' ' ALA . 16.7 t70 -91.92 115.74 65.17 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.269 -0.878 . . . . 2.0800000000000001 110.405 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -56.79 -24.96 58.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.977 2.451 . . . . 0.87 113.433 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.409 ' HB2' ' OD2' ' A' ' 100' ' ' ASP . . . -71.91 -24.84 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.604 0.24 . . . . 1.23 110.931 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -24.95 62.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.11 0.481 . . . . 3.5099999999999998 110.156 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.506 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 54.1 mt -86.8 -0.06 55.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.492 . . . . 1.9199999999999999 110.648 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.35 40.78 0.9 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.835 -0.62 . . . . 1.3999999999999999 110.692 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -137.05 24.94 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 2.04 110.479 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.08 -157.36 24.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.909 -1.138 . . . . 0.93999999999999995 113.591 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.07 130.18 53.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 2.02 110.01 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.506 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 36.3 m-85 -107.47 154.51 21.25 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.614 -0.721 . . . . 0.87 111.622 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -119.61 151.68 38.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.648 -0.706 . . . . 2.1099999999999999 109.763 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.584 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 33.8 p90 -123.44 142.66 50.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.958 -0.756 . . . . 0.27000000000000002 108.958 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.76 169.74 20.87 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.951 0.405 . . . . 0.96999999999999997 111.2 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 31.3 t -98.99 126.26 44.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.37 -0.974 . . . . 0.17999999999999999 108.37 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 p -100.53 12.37 37.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 1.1000000000000001 111.728 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.41 137.86 97.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.035 -0.728 . . . . 0.32000000000000001 109.035 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.87 114.38 1.76 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.819 2.346 . . . . 0.55000000000000004 113.001 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.94 -14.57 62.64 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.496 -0.775 . . . . 0.5 111.896 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.404 ' CG ' ' HE1' ' A' ' 122' ' ' MET . 13.6 m170 -92.42 -27.54 17.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 0.38 111.366 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.66 -15.71 54.43 Favored Glycine 0 C--N 1.33 0.236 0 CA-C-N 116.116 -0.493 . . . . 0.60999999999999999 113.505 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.72 -20.45 27.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.532 -0.393 . . . . 1.5800000000000001 111.422 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -109.97 -52.3 2.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.954 0.353 . . . . 2.6200000000000001 111.954 -172.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.547 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 5.0 mtm -85.38 92.6 8.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.792 0.33 . . . . 1.27 111.056 -175.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -140.34 145.5 37.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.955 -0.566 . . . . 1.1299999999999999 110.481 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -158.87 179.95 34.14 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.397 -0.681 . . . . 0.31 111.397 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -114.98 139.29 49.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.995 0.398 . . . . 2.0499999999999998 110.797 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.5 p -118.22 113.96 43.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.624 0.726 . . . . 1.77 109.257 174.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.2 m -109.02 136.29 48.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.467 -0.788 . . . . 1.6799999999999999 111.244 -170.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.9 tp -82.07 125.99 31.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.291 -0.633 . . . . 2.0099999999999998 109.291 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 35.4 m -123.57 176.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.507 -0.315 . . . . 1.1899999999999999 110.544 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 2.25 111.365 -179.4 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.528 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 76.5 m . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.382 0.61 . . . . 0.62 110.06 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.05 155.87 40.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.5 -0.773 . . . . 0.32 110.435 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.84 156.43 45.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.903 -0.589 . . . . 0.27 110.028 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m -126.46 123.58 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.004 0.43 . . . . 0.84 110.724 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.03 135.61 49.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.8 -0.636 . . . . 0.87 109.901 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -110.3 126.82 54.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.429 -0.35 . . . . 1.98 110.447 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.518 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 36.1 p -123.1 139.14 54.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 0.97 109.935 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.4 ' OD1' ' HG2' ' A' ' 17' ' ' GLN . 34.7 p30 -123.41 177.85 5.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.185 -0.302 . . . . 1.14 110.185 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.02 27.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.285 0.564 . . . . 2.26 110.838 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -106.42 9.47 31.73 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.409 -0.96 . . . . 1.59 108.409 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.4 ' HA ' ' HE2' ' A' ' 122' ' ' MET . 4.8 mpp? 64.7 64.39 0.67 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.157 -1.383 . . . . 1.92 111.863 175.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 3.3 pt20 -159.97 155.51 25.59 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.042 0.448 . . . . 1.86 111.725 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 29.2 m-85 -108.45 151.87 25.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.211 -0.904 . . . . 0.44 108.665 169.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -81.58 2.97 26.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.782 0.325 . . . . 2.31 111.286 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -157.23 142.79 17.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.939 -0.393 . . . . 1.12 109.939 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -114.49 4.81 15.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.462 0.649 . . . . 2.18 109.546 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -138.22 125.11 21.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.386 -0.825 . . . . 2.06 110.425 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 87.2 mt -125.6 120.96 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.216 0.531 . . . . 0.32 109.783 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.45 114.41 28.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.754 -0.657 . . . . 1.46 110.356 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.82 125.13 46.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.441 -0.8 . . . . 0.31 110.226 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -81.31 128.63 34.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.758 -0.656 . . . . 1.16 110.805 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -75.97 -1.81 27.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.98 110.539 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.27 -5.71 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 0.65 110.266 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.528 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 60.4 m -104.11 139.74 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.588 -0.733 . . . . 0.49 110.161 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -69.85 -46.15 66.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.507 -0.553 . . . . 3.49 109.507 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.47 149.9 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.371 -0.831 . . . . 2.0 109.122 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -120.68 128.19 52.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.965 -0.383 . . . . 0.36 109.965 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 38.2 m -103.26 133.0 49.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.267 -0.424 . . . . 0.32 110.746 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -121.17 120.67 62.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 109.869 -0.419 . . . . 0.23 109.869 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -106.61 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.012 -0.54 . . . . 0.28 110.313 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -103.76 128.77 51.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.215 -0.448 . . . . 0.2 109.83 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -121.78 115.37 22.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.8 -0.444 . . . . 2.62 109.8 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.3 t60 -88.03 92.29 9.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.224 0.535 . . . . 0.29 109.893 -178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.4 p -85.06 77.18 10.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 1.6 110.864 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.26 -162.58 10.96 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.614 -0.721 . . . . 1.16 111.697 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -127.01 1.67 6.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 1.53 111.366 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -95.9 134.65 23.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.967 0.413 . . . . 2.08 111.545 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.95 159.17 51.03 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.328 2.686 . . . . 0.49 111.996 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -61.89 -24.55 67.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.367 -0.833 . . . . 1.82 112.867 -169.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.68 43.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.845 0.355 . . . . 0.59 111.598 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -102.56 -45.04 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 1.51 110.038 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.5 tpp -144.93 73.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 1.13 109.436 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.66 150.33 19.82 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.357 -0.838 . . . . 0.14 111.784 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.457 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 81.3 m-70 -132.71 149.03 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.816 -0.354 . . . . 0.15 110.606 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -141.54 166.48 24.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.969 -0.752 . . . . 1.48 108.969 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -126.48 110.61 13.48 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.382 -0.599 . . . . 0.22 109.382 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 64.5 t -111.87 130.05 66.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.454 -0.794 . . . . 1.46 110.478 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -109.57 122.21 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 0.51 110.105 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.511 ' CB ' HG21 ' A' ' 62' ' ' VAL . . . -147.26 165.57 29.69 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.723 -0.671 . . . . 0.32 110.974 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -69.29 126.15 28.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.256 -0.884 . . . . 1.46 109.279 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 59' ' ' MET . . . -56.9 -36.48 70.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.523 -0.762 . . . . 0.77 112.267 -171.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.98 -25.01 68.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 2.89 110.911 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.34 4.75 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 2.15 110.864 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 8.4 tpt -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.78 111.152 -172.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.16 -44.66 96.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 2.27 110.927 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.2 -28.09 73.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.859 -0.686 . . . . 0.66 111.627 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.511 HG21 ' CB ' ' A' ' 54' ' ' ALA . 75.7 t -67.99 -49.91 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.256 . . . . 0.55 110.659 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 67' ' ' VAL . 57.0 m-85 -61.89 -43.06 99.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 0.53 110.555 176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.95 -48.03 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.76 -0.654 . . . . 3.03 110.833 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.03 -24.96 60.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 2.28 110.437 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.36 90.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.987 -0.625 . . . . 0.5 112.205 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 63' ' ' PHE . 76.5 t -63.54 -33.9 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.046 0.451 . . . . 1.04 110.809 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.97 -12.77 83.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.803 -0.713 . . . . 0.53 112.39 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.464 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -106.85 47.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 0.38 110.617 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.12 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.658 . . . . 0.62 111.643 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -70.42 -22.2 62.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 2.44 111.462 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.464 ' OG1' ' HB1' ' A' ' 69' ' ' ALA . 21.7 p -111.82 49.18 0.91 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.73 0.3 . . . . 1.46 111.395 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.93 26.9 16.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.914 -0.585 . . . . 1.66 111.835 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 62.45 25.93 15.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.602 -0.726 . . . . 0.68 111.67 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 108.996 -0.742 . . . . 1.38 108.996 172.403 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 108.502 -0.925 . . . . 2.33 108.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.8 132.68 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.456 -1.247 . . . . 0.78 109.523 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 81.9 t -88.44 -40.28 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.478 -0.328 . . . . 0.91 110.52 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.6 153.41 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.188 -0.46 . . . . 0.36 110.74 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -154.92 138.07 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.323 -0.399 . . . . 1.96 111.098 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.56 HG23 HD23 ' A' ' 97' ' ' LEU . 72.1 p -92.72 178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.412 -0.588 . . . . 0.5 109.412 173.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -97.18 173.79 7.06 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.537 -0.542 . . . . 2.85 109.537 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -77.37 127.04 31.88 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.342 -0.614 . . . . 1.24 109.342 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.15 139.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.037 0.446 . . . . 0.35 111.455 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.11 -168.87 39.25 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.79 112.198 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.99 103.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.236 -0.506 . . . . 0.81 112.856 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.98 -23.1 10.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.001 -0.619 . . . . 0.8 111.95 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -82.09 166.09 20.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.971 0.415 . . . . 2.34 110.708 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.93 154.95 43.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 1.86 110.339 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -144.27 159.65 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.913 -0.773 . . . . 1.35 108.913 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.0 p -143.75 160.5 40.62 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.796 0.331 . . . . 1.0 110.941 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.56 HD23 HG23 ' A' ' 86' ' ' THR . 4.1 pp -142.47 161.4 38.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 0.26 110.235 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.32 126.45 35.35 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.962 -0.563 . . . . 1.14 110.052 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 3.6 pp -126.07 156.46 39.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.939 0.399 . . . . 0.49 111.108 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.24 108.86 29.39 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.337 -0.847 . . . . 2.08 109.999 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 99' ' ' LEU . 45.4 Cg_exo -54.45 -35.0 83.78 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.298 2.665 . . . . 0.53 113.19 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.12 -11.27 60.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.813 0.34 . . . . 0.62 111.481 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -89.89 -7.3 54.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.311 0.577 . . . . 2.92 110.279 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 58.9 mt -88.28 4.72 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 1.3 110.847 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.53 2.96 42.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.295 -0.411 . . . . 1.08 111.405 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.5 -22.15 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.453 -0.339 . . . . 2.04 111.74 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 159.63 -140.9 7.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.055 -1.069 . . . . 0.74 112.779 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -91.96 122.78 34.8 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.02 110.439 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.036 -0.529 . . . . 0.4 111.146 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -130.22 153.69 48.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.059 -0.519 . . . . 1.53 110.259 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 43.5 p90 -115.75 144.04 44.53 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.233 -1.025 . . . . 0.23 108.233 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.82 163.28 29.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.08 0.467 . . . . 0.19 111.827 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 27.7 t -93.5 120.21 33.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.863 -1.062 . . . . 0.16 108.652 173.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.7 p -89.2 17.84 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 0.24 111.72 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -75.29 123.5 88.74 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.751 -0.833 . . . . 0.26 108.751 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.28 116.78 3.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.748 2.299 . . . . 0.49 112.46 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.4 -11.95 51.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.085 -0.579 . . . . 0.5 112.199 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -98.95 -39.12 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.67 0.248 . . . . 0.38 111.67 -178.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.63 -23.96 59.15 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.399 0.52 . . . . 0.61 114.399 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.14 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.991 0.396 . . . . 0.83 111.51 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -121.03 -36.59 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 2.13 110.436 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.452 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 30.9 mtt -86.82 72.52 10.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 0.65 110.848 -174.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -154.03 155.57 35.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 1.13 109.65 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -151.78 -150.88 5.46 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.346 -0.93 . . . . 0.31 112.432 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -118.73 134.85 54.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.308 -0.256 . . . . 1.48 110.308 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -127.28 120.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.45 0.643 . . . . 1.11 109.304 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -125.44 141.0 52.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.705 -0.68 . . . . 0.97 111.577 -169.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.86 123.96 29.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.508 -0.553 . . . . 1.44 109.508 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.09 162.51 29.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.251 0.548 . . . . 0.6 111.335 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.343 -0.844 . . . . 2.25 109.78 177.87 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.563 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 85.1 m . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.358 0.599 . . . . 0.62 109.97 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.34 158.95 44.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.583 -0.735 . . . . 0.32 110.199 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.49 142.8 26.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.088 -0.506 . . . . 0.27 110.378 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t -112.85 126.22 55.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.195 0.522 . . . . 0.84 110.01 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.24 121.79 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.629 -0.714 . . . . 0.87 109.946 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -90.31 143.23 26.95 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.539 -0.541 . . . . 1.98 109.539 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 p -128.62 135.86 49.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.408 -0.59 . . . . 0.97 109.408 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -124.27 -166.21 1.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.912 0.387 . . . . 1.14 111.685 -171.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.53 -21.89 55.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 2.26 111.472 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.39 15.48 0.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.576 0.584 . . . . 1.59 112.576 -171.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 mtt 58.31 51.45 8.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.238 -0.437 . . . . 1.92 111.158 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -148.26 152.77 37.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.364 0.602 . . . . 1.86 111.96 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -93.18 151.82 19.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.766 -1.106 . . . . 0.44 108.17 164.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 7.59 14.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.762 0.315 . . . . 2.31 110.756 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 p -138.51 134.0 33.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.059 -0.518 . . . . 1.12 111.317 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -105.88 -11.78 16.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 2.18 109.872 169.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -141.05 139.23 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.855 . . . . 2.06 109.572 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.1 mt -122.56 127.15 74.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.451 -0.574 . . . . 0.32 109.451 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -97.79 106.03 18.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.144 0.497 . . . . 1.46 110.975 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.1 t -96.8 119.01 44.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.568 -0.742 . . . . 0.31 109.883 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -79.81 125.92 30.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.254 -0.43 . . . . 1.16 110.743 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -79.93 1.79 25.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.98 110.556 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.16 -6.63 59.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.65 110.143 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.563 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 61.6 m -104.74 154.36 20.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.593 -0.73 . . . . 0.49 109.781 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -89.34 -31.45 17.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.092 0.472 . . . . 3.49 110.11 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.03 131.26 34.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.939 -0.573 . . . . 2.0 109.82 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -111.77 127.67 55.87 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.239 -0.652 . . . . 0.36 109.239 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 26.3 m -106.9 124.52 49.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.39 -0.368 . . . . 0.32 111.143 -175.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 96' ' ' SER . 67.6 mt -111.91 122.08 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.45 -0.341 . . . . 0.23 110.103 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 m -108.58 127.53 54.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.051 -0.522 . . . . 0.28 110.391 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.9 tp -103.3 128.96 50.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.149 -0.478 . . . . 0.2 109.889 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -117.81 108.26 15.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.37 -0.377 . . . . 2.62 110.211 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.75 92.48 5.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.29 109.886 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.2 p -74.89 -36.29 62.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.501 -0.772 . . . . 1.6 111.967 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.3 127.2 38.72 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.84 -0.618 . . . . 1.16 112.799 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 p -75.08 59.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.143 0.497 . . . . 1.53 111.698 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' MET . 19.6 mm-40 -121.95 132.07 24.31 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.916 -0.584 . . . . 2.08 110.241 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.69 145.66 91.47 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.699 2.266 . . . . 0.49 111.68 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -67.77 -19.47 65.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.989 -0.55 . . . . 1.82 112.048 -171.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.31 59.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 0.59 111.049 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -112.57 -51.77 2.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.314 -0.403 . . . . 1.51 110.813 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 45.0 tpp -134.18 64.92 1.59 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.298 0.571 . . . . 1.13 109.768 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.8 152.99 22.79 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 110.65 -0.98 . . . . 0.14 110.65 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 37.6 m80 -133.2 146.61 51.66 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.59 -0.444 . . . . 0.15 110.387 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.1 p-10 -144.53 152.88 41.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.111 -0.7 . . . . 1.48 109.111 173.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 tt -115.57 112.06 21.62 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.564 -0.532 . . . . 0.22 109.564 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.624 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 5.9 m -111.46 146.29 16.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.604 -0.726 . . . . 1.46 110.307 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.3 mt -119.59 116.69 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.588 -0.523 . . . . 0.51 109.588 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -140.92 167.79 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.462 -0.79 . . . . 0.32 110.592 -174.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -74.54 131.75 41.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.711 -0.677 . . . . 1.46 110.098 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.92 61.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.749 . . . . 0.77 112.123 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -26.81 64.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 2.89 111.521 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 62' ' ' VAL . 1.3 m-20 -119.45 17.91 12.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.51 -0.314 . . . . 2.15 110.739 -175.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 9.0 tpt -66.17 -41.25 90.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.78 111.435 -172.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.53 -36.67 84.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 2.27 110.468 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.19 77.17 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.62 -0.718 . . . . 0.66 111.868 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 58' ' ' ASP . 96.7 t -64.32 -43.97 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.828 0.347 . . . . 0.55 110.524 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -69.75 -35.95 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.53 110.292 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.16 -47.0 78.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 3.03 110.774 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.19 -17.85 56.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 2.28 111.076 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.62 -33.98 67.19 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.108 -0.568 . . . . 0.5 112.658 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.96 -32.26 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.108 0.48 . . . . 1.04 110.884 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -88.08 10.44 70.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 0.53 112.726 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -123.51 39.01 4.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 0.38 110.835 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 0.62 111.852 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -77.81 -20.42 53.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.286 -0.415 . . . . 2.44 111.577 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 m -94.87 -76.3 0.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.95 -0.3 . . . . 1.46 110.79 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -168.18 26.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.129 0.49 . . . . 1.66 109.984 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 62.95 26.91 15.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.296 -0.865 . . . . 0.68 110.934 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.133 -0.939 . . . . 1.38 108.624 171.195 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.349 0.595 . . . . 2.33 110.047 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.53 129.97 44.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.335 -0.848 . . . . 0.78 110.287 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.38 -43.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.912 -0.585 . . . . 0.91 110.191 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.03 149.26 31.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.875 -0.602 . . . . 0.36 110.168 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -157.57 137.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.755 0.312 . . . . 1.96 110.985 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 HD23 ' A' ' 97' ' ' LEU . 71.5 p -83.89 158.94 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.794 -0.639 . . . . 0.5 109.911 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -66.08 149.5 50.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.099 -0.334 . . . . 2.85 110.099 174.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.62 103.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.9 -0.778 . . . . 1.24 108.9 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.9 pt -101.73 145.98 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.328 0.585 . . . . 0.35 112.152 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.2 -157.59 31.65 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.054 -0.975 . . . . 0.79 111.942 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.22 125.02 8.59 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.028 -0.606 . . . . 0.81 113.02 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.18 0.45 77.16 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.031 -0.604 . . . . 0.8 112.492 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.9 167.19 10.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.696 0.284 . . . . 2.34 110.424 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -149.32 157.56 43.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.078 -0.51 . . . . 1.86 110.567 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.5 t -151.88 159.59 43.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.494 -0.558 . . . . 1.35 109.494 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 36.2 m -137.71 155.59 48.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.677 0.275 . . . . 1.0 111.121 -177.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.566 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -134.15 159.41 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.167 -0.469 . . . . 0.26 109.997 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -130.6 141.11 50.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.306 -0.406 . . . . 1.14 110.32 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 pp -144.94 161.64 38.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.42 -0.355 . . . . 0.49 110.847 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.58 121.44 64.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 2.08 109.976 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.474 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 31.9 Cg_exo -58.41 -25.97 75.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.054 2.503 . . . . 0.53 113.619 -177.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.54 61.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.086 0.469 . . . . 0.62 110.795 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -78.55 -21.18 49.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 2.92 110.173 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 48.7 mt -85.56 -5.82 59.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.541 . . . . 1.3 110.827 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.58 2.38 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 1.08 110.76 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -98.9 -10.22 23.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 2.04 111.165 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.32 -173.55 30.1 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 119.935 -1.126 . . . . 0.74 113.237 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -109.76 111.36 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.888 -0.782 . . . . 2.02 108.888 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.589 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 79.4 m-85 -105.28 146.63 29.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.665 0.745 . . . . 0.4 112.273 -169.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.77 152.89 34.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.754 -1.112 . . . . 1.53 109.456 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.624 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.6 p90 -115.81 139.37 50.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.385 -0.969 . . . . 0.23 108.385 170.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.36 168.63 25.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.147 0.499 . . . . 0.19 111.832 -174.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 20.1 t -100.11 123.26 44.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.794 -1.094 . . . . 0.16 108.257 173.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.0 p -95.56 13.21 26.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.913 0.387 . . . . 0.24 111.552 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.59 134.28 95.96 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.083 -0.71 . . . . 0.26 109.083 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.98 110.48 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.793 2.329 . . . . 0.49 112.642 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.43 -8.76 52.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.779 -0.724 . . . . 0.5 112.316 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -103.07 -20.03 14.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.696 -0.297 . . . . 0.38 111.239 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.09 95.6 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.665 0.626 . . . . 0.61 114.665 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -12.41 56.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.295 0.547 . . . . 0.83 111.204 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 tp -105.58 -48.77 3.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.011 0.434 . . . . 2.13 111.131 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 36.3 mtt -93.64 81.71 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.239 -0.437 . . . . 0.65 110.416 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -151.15 158.19 43.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.722 -0.672 . . . . 1.13 110.834 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.14 -168.99 23.79 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.252 -0.885 . . . . 0.31 110.9 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.84 141.37 38.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.305 0.553 . . . . 1.48 111.624 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.1 108.74 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 1.11 109.459 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.3 m -95.34 112.51 24.21 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.088 -0.506 . . . . 0.97 111.327 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.7 tp -77.72 119.55 21.4 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.655 -0.868 . . . . 1.44 108.655 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.79 157.66 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.085 0.469 . . . . 0.6 111.127 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.499 -0.773 . . . . 2.25 110.355 178.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.8 m . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.026 0.441 . . . . 0.62 110.97 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -154.87 146.35 23.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 0.32 110.482 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.97 143.02 29.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.524 -0.307 . . . . 0.27 110.5 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 m -106.81 130.61 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.0 0.429 . . . . 0.84 110.628 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 64.2 t -120.46 133.58 66.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.869 -0.605 . . . . 0.87 109.38 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HG2' ' HB2' ' A' ' 37' ' ' LYS . 41.3 mt-10 -106.4 142.35 36.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.5 . . . . 1.98 110.765 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 7.9 p -122.79 137.11 55.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.168 -0.924 . . . . 0.97 108.808 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -123.22 -178.22 3.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.928 0.394 . . . . 1.14 111.227 -172.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.562 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 8.6 p-10 -76.63 2.4 14.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 2.26 111.607 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -100.92 5.75 43.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.922 -0.399 . . . . 1.59 109.922 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtm 61.87 42.9 9.87 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.392 -0.822 . . . . 1.92 111.284 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -134.22 126.25 29.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 1.86 111.424 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 25.8 m-85 -74.23 146.1 43.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.44 109.986 174.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.413 ' OD1' ' HB2' ' A' ' 11' ' ' GLU . 6.9 m-20 -58.97 -29.37 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 2.31 111.348 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -144.45 152.0 40.01 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.243 -0.435 . . . . 1.12 110.404 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -117.03 11.96 14.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.332 0.587 . . . . 2.18 110.018 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.1 t70 -143.56 129.15 19.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.55 -0.75 . . . . 2.06 110.169 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.6 mt -124.42 126.82 72.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.182 -0.463 . . . . 0.32 109.834 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -95.63 108.48 20.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.069 0.462 . . . . 1.46 110.711 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -95.78 118.8 42.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.792 -0.64 . . . . 0.31 109.699 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.622 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 16.6 t -77.07 120.23 21.87 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.949 -0.569 . . . . 1.16 110.153 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -72.31 -10.56 59.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 0.98 110.301 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.83 -10.11 58.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 0.65 110.423 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' A' ' 26' ' ' SER . 99.0 m -88.17 148.2 24.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.49 109.866 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -82.06 -27.59 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.172 -0.467 . . . . 3.49 110.438 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -155.55 149.73 25.73 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.429 -0.582 . . . . 2.0 109.429 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -127.65 125.11 39.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.889 -0.412 . . . . 0.36 109.889 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 86.9 m -109.17 130.84 55.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.211 0.529 . . . . 0.32 111.161 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.4 mt -115.92 124.5 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 0.23 110.039 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -107.2 124.15 49.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.072 -0.513 . . . . 0.28 110.469 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 29.2 tp -102.87 128.17 49.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.362 -0.381 . . . . 0.2 110.263 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 34.2 mmtp -115.66 112.74 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 2.62 109.96 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.7 94.37 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.16 0.505 . . . . 0.29 110.229 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -78.85 145.94 33.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.416 -0.811 . . . . 1.6 109.232 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.13 170.99 12.69 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.443 -0.663 . . . . 1.16 111.443 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.9 p -119.01 20.55 12.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.959 0.409 . . . . 1.53 111.865 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -97.61 127.36 37.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.468 -0.333 . . . . 2.08 110.582 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.01 165.45 32.34 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.732 2.288 . . . . 0.49 112.353 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -53.61 -42.44 67.71 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.533 0.568 . . . . 1.82 112.533 -171.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.16 -20.84 64.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.328 . . . . 0.59 111.806 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -93.8 -42.39 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 1.51 110.317 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.562 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 51.7 ttm -164.87 83.18 0.38 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.275 0.559 . . . . 1.13 110.638 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.82 156.22 21.39 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.133 -0.787 . . . . 0.14 111.133 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 84.5 m-70 -135.75 154.99 51.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.808 0.337 . . . . 0.15 110.653 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -146.27 169.07 19.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 1.48 109.243 169.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tt -123.93 109.73 13.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.0 -0.741 . . . . 0.22 109.0 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 71.5 t -114.44 130.62 68.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.367 -0.833 . . . . 1.46 110.614 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -112.44 118.6 58.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.113 -0.494 . . . . 0.51 109.818 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -142.6 165.14 28.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 0.32 111.052 -176.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -62.84 128.6 36.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.481 -0.781 . . . . 1.46 109.884 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.74 66.03 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.458 0.54 . . . . 0.77 112.458 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.76 -12.12 59.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.729 0.299 . . . . 2.89 111.167 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 12.1 m-20 -123.06 9.02 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 2.15 110.403 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.654 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 11.5 tpt -68.17 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.852 -0.613 . . . . 0.78 110.456 -173.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.4 t70 -60.33 -39.34 86.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 2.27 110.356 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.5 74.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.66 112.3 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -72.01 -35.56 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.809 0.338 . . . . 0.55 110.573 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.51 -50.06 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.53 111.249 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 11.7 ptmm? -64.18 -46.88 82.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.535 -0.302 . . . . 3.03 111.679 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.06 -14.76 58.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.9 0.381 . . . . 2.28 110.386 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.87 -30.79 72.42 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.915 -0.584 . . . . 0.5 111.932 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.9 -36.82 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.087 0.47 . . . . 1.04 110.409 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.33 4.29 73.14 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.935 -0.65 . . . . 0.53 112.355 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -112.76 34.44 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.187 0.518 . . . . 0.38 110.403 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.99 69.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.719 -0.673 . . . . 0.62 111.575 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.17 3.2 36.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 2.44 111.461 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 t -145.01 54.7 1.22 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.418 0.628 . . . . 1.46 111.183 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 66.47 20.04 10.9 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.426 -0.807 . . . . 1.66 112.899 171.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 59.67 30.25 19.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.0 0.428 . . . . 0.68 111.489 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 m . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.096 -0.502 . . . . 1.38 109.924 175.382 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.472 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 38.3 mtt180 . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 108.577 -0.897 . . . . 2.33 108.577 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.98 139.38 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.479 -1.237 . . . . 0.78 109.927 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -101.03 -41.12 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.91 110.682 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.38 146.79 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.135 -0.484 . . . . 0.36 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -154.55 140.06 17.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 1.96 110.941 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 HD23 ' A' ' 97' ' ' LEU . 71.0 p -86.28 170.21 12.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.5 110.327 177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -73.43 153.12 40.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.207 -0.664 . . . . 2.85 109.207 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 88' ' ' LEU . 2.2 tm? -73.27 110.51 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.23 -1.026 . . . . 1.24 108.23 177.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.507 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 30.5 pt -112.89 138.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.015 -0.539 . . . . 0.35 111.841 -172.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -91.56 -169.72 41.78 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.629 -0.714 . . . . 0.79 111.752 176.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.8 121.46 23.58 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.931 -0.652 . . . . 0.81 112.348 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.12 8.34 57.88 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.825 -0.702 . . . . 0.8 112.318 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 37.2 mt-10 -109.3 161.25 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 2.34 110.859 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -143.83 148.56 35.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.86 110.235 175.769 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 t -149.04 152.54 36.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 1.35 109.308 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.0 m -135.25 157.28 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 1.0 110.975 -175.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.566 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -138.46 158.31 44.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.26 110.089 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.8 m -126.71 126.3 43.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.464 -0.569 . . . . 1.14 109.464 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.82 159.74 23.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.988 0.423 . . . . 0.49 111.384 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -98.61 122.22 54.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.5 -0.773 . . . . 2.08 110.317 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 34.9 Cg_exo -60.51 -30.88 91.64 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.108 2.539 . . . . 0.53 113.271 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.98 -32.97 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.618 0.247 . . . . 0.62 110.593 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.83 -35.44 81.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 2.92 110.351 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 41.3 mt -79.93 -10.01 59.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 1.3 110.534 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.85 -7.27 58.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.611 . . . . 1.08 110.836 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -94.31 23.57 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 2.04 111.604 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.29 -169.85 38.52 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.847 -0.692 . . . . 0.74 111.715 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -108.55 119.83 40.65 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.784 -0.45 . . . . 2.02 109.784 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 58.5 m-85 -107.7 159.07 16.75 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.362 0.601 . . . . 0.4 112.383 -173.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -125.29 158.44 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.212 -0.903 . . . . 1.53 109.282 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.503 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 21.6 p90 -123.05 142.73 50.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.716 -0.846 . . . . 0.23 108.716 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.59 171.22 14.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.083 0.468 . . . . 0.19 112.021 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.2 t -98.54 122.34 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.98 -1.009 . . . . 0.16 108.568 173.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.2 p -92.95 11.5 27.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.15 0.426 . . . . 0.24 112.15 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.57 137.29 97.09 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.821 -0.807 . . . . 0.26 108.821 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.98 118.35 5.05 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.443 2.095 . . . . 0.49 112.51 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.87 5.33 74.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.472 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.48 -19.51 13.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.928 0.344 . . . . 0.38 111.928 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.71 -27.44 73.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.111 -0.566 . . . . 0.61 114.402 -170.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.86 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.355 0.577 . . . . 0.83 111.612 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.2 tp -96.29 -39.2 9.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.964 0.411 . . . . 2.13 110.892 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.435 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 10.4 mtm -97.97 83.65 3.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.273 -0.421 . . . . 0.65 111.283 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -152.79 158.19 41.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.702 -0.681 . . . . 1.13 110.007 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.18 -170.8 31.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.85 -0.69 . . . . 0.31 112.318 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 16.4 tppt? -108.18 131.87 54.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.106 0.479 . . . . 1.48 111.491 -175.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.14 119.44 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.545 -0.909 . . . . 1.11 108.545 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 26.1 m -108.62 138.63 44.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.925 -0.579 . . . . 0.97 111.418 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 104' ' ' LEU . 4.4 mm? -89.3 118.75 29.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 1.44 109.996 176.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 32.7 m -121.28 159.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 0.6 110.326 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.258 -0.428 . . . . 2.25 110.6 -178.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 63.0 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.346 0.594 . . . . 0.62 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.4 148.31 28.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.843 -0.617 . . . . 0.32 110.157 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.98 141.9 28.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.411 -0.359 . . . . 0.27 110.456 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 m -108.5 129.47 55.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.14 0.495 . . . . 0.84 110.535 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 92.5 t -120.07 126.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.631 -0.713 . . . . 0.87 109.742 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.04 145.57 31.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.916 0.389 . . . . 1.98 110.768 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 23.0 t -132.37 137.03 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.099 -1.074 . . . . 0.97 108.099 172.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -121.46 -166.96 1.43 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.285 0.476 . . . . 1.14 112.285 -168.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.611 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 11.5 p-10 -75.35 -19.66 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.579 -0.737 . . . . 2.26 111.683 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -81.71 7.56 12.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.485 0.66 . . . . 1.59 110.083 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.43 ' HB3' ' HE2' ' A' ' 122' ' ' MET . 65.6 mtt 62.53 59.49 1.5 Allowed 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 114.805 -1.089 . . . . 1.92 111.557 174.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.55 150.55 19.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.996 -0.547 . . . . 1.86 110.985 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -83.87 143.05 30.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.567 -0.742 . . . . 0.44 109.311 170.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -68.12 -20.26 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 2.31 111.286 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -132.92 145.63 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.327 . . . . 1.12 110.206 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -108.59 -6.87 15.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.346 0.593 . . . . 2.18 110.309 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -137.66 130.09 29.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.094 -0.503 . . . . 2.06 110.78 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.82 131.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.109 -0.496 . . . . 0.32 110.2 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -107.97 126.06 52.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.968 -0.56 . . . . 1.46 110.358 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.0 t -108.08 122.74 62.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.588 -0.733 . . . . 0.31 109.952 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.5 t -77.91 122.45 25.51 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.134 0.492 . . . . 1.16 111.005 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -69.54 -20.17 63.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.494 -0.775 . . . . 0.98 110.079 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.14 -10.68 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.684 -0.689 . . . . 0.65 110.827 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.665 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 88.4 m -95.81 142.53 27.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.972 -0.558 . . . . 0.49 109.858 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -78.33 -46.37 20.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.148 -0.478 . . . . 3.49 110.242 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -123.46 130.19 52.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.718 -0.475 . . . . 2.0 109.718 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 38.3 t80 -119.46 116.56 26.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.36 109.515 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 67.5 m -111.03 130.4 55.61 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.908 -0.587 . . . . 0.32 110.936 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.05 124.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.944 -0.571 . . . . 0.23 110.151 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -103.85 124.01 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.282 -0.417 . . . . 0.28 110.694 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 33.3 tp -99.91 130.75 46.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.554 . . . . 0.2 109.584 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.88 116.7 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.069 0.461 . . . . 2.62 110.064 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.4 t60 -100.71 98.92 9.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.107 0.479 . . . . 0.29 110.526 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -81.86 146.17 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.609 -0.723 . . . . 1.6 109.445 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.55 166.0 10.88 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.095 -0.802 . . . . 1.16 111.095 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.0 p -111.78 20.18 17.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.212 0.506 . . . . 1.53 110.972 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -99.34 133.58 21.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.128 -0.487 . . . . 2.08 110.958 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.66 158.22 57.86 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.356 2.704 . . . . 0.49 112.319 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -71.85 -15.74 62.13 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.753 -0.658 . . . . 1.82 111.936 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.89 61.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.853 0.358 . . . . 0.59 111.153 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 p -112.14 -51.33 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 1.51 110.873 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.611 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 50.6 ttm -126.46 67.17 1.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.524 0.678 . . . . 1.13 110.168 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.03 153.08 21.0 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 110.995 -0.842 . . . . 0.14 110.995 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.459 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 38.2 m80 -134.9 150.35 50.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.59 -0.444 . . . . 0.15 110.947 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -142.4 169.72 17.05 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 1.48 108.823 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 tt -132.28 112.39 12.19 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.426 -0.583 . . . . 0.22 109.426 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.8 m -110.33 149.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.717 -0.674 . . . . 1.46 110.273 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -124.31 118.92 55.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.835 -0.432 . . . . 0.51 109.835 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -147.62 177.43 9.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.677 . . . . 0.32 111.21 -174.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -66.35 128.97 38.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.751 -0.659 . . . . 1.46 110.475 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB2' ' HG3' ' A' ' 110' ' ' LYS . . . -61.41 -31.06 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 0.77 112.282 -176.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.83 -13.34 59.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.406 -0.361 . . . . 2.89 111.811 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -122.76 14.95 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.576 0.703 . . . . 2.15 109.447 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 9.5 tpt -65.24 -34.42 78.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.272 -0.876 . . . . 0.78 110.984 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.22 -38.45 89.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 2.27 110.456 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.94 -31.12 79.89 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.732 -0.667 . . . . 0.66 111.611 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.22 -40.81 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.55 110.276 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -72.86 -30.33 63.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.53 110.754 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -72.0 -49.18 39.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 3.03 110.747 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.16 -16.33 59.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.17 -0.468 . . . . 2.28 110.713 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.08 -48.26 33.37 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.966 -0.561 . . . . 0.5 112.762 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -61.93 -30.22 48.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 1.04 110.913 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.22 14.83 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.53 112.548 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.439 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -127.02 51.03 1.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.202 0.525 . . . . 0.38 110.38 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.815 -0.63 . . . . 0.62 111.946 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.14 -0.18 30.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.712 0.292 . . . . 2.44 111.494 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 75' ' ' VAL . 19.0 p -128.19 44.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.739 0.304 . . . . 1.46 111.033 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 59.6 26.91 16.01 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.841 -0.618 . . . . 1.66 112.043 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CD2' HD11 ' A' ' 88' ' ' LEU . 42.4 m-85 62.43 31.89 16.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.68 111.537 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 72' ' ' THR . 13.5 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 1.38 110.222 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 121.209 0.528 . . . . 2.33 109.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.4 t -94.55 126.02 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.573 -0.74 . . . . 0.78 110.624 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.96 -44.06 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 0.91 110.087 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.14 156.62 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.36 110.179 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -158.2 152.9 24.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.665 0.269 . . . . 1.96 110.605 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.505 HG23 HD23 ' A' ' 97' ' ' LEU . 67.1 p -95.41 -179.16 4.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.195 -0.669 . . . . 0.5 109.195 169.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -99.7 168.52 9.87 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.519 -0.549 . . . . 2.85 109.519 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.545 HD11 ' CD2' ' A' ' 74' ' ' TYR . 24.0 mt -71.65 120.73 17.66 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.723 0.297 . . . . 1.24 110.659 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 28.7 pt -120.94 142.31 37.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.11 -0.495 . . . . 0.35 110.836 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.89 -168.17 30.75 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.79 111.691 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.6 116.93 9.23 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.785 -0.721 . . . . 0.81 111.996 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 99.23 20.52 17.75 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.779 -0.724 . . . . 0.8 112.283 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 49.9 mt-10 -129.88 157.1 43.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.868 0.366 . . . . 2.34 110.981 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -131.18 152.94 49.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 1.86 109.833 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.1 p -142.33 169.38 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 1.35 109.803 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -151.36 156.64 41.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 1.0 111.58 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.505 HD23 HG23 ' A' ' 86' ' ' THR . 4.5 pp -138.16 158.93 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.582 -0.735 . . . . 0.26 109.406 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.4 m -135.47 132.34 37.27 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.43 -0.581 . . . . 1.14 109.43 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.41 157.63 42.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.06 0.457 . . . . 0.49 111.101 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.32 115.41 64.02 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.266 -0.879 . . . . 2.08 109.417 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.592 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 50.6 Cg_exo -53.54 -30.77 56.01 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.172 2.581 . . . . 0.53 113.685 -176.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.44 -17.76 64.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 0.62 111.293 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -80.15 -11.68 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 2.92 110.584 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.424 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 55.6 mt -94.47 3.48 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 1.3 110.939 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.64 39.64 1.04 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.052 -0.522 . . . . 1.08 110.482 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.56 12.18 6.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 2.04 111.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.14 -168.45 25.09 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.248 -0.977 . . . . 0.74 112.58 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.97 123.39 33.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.986 -0.375 . . . . 2.02 109.986 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 57.7 m-85 -106.26 153.28 22.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.4 111.294 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HG3' ' HB2' ' A' ' 56' ' ' ALA . 48.1 mtpt -124.51 156.66 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.977 -0.556 . . . . 1.53 110.275 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.626 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 40.3 p90 -115.79 145.6 42.68 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.387 -0.968 . . . . 0.23 108.387 170.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.24 165.05 29.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.276 0.473 . . . . 0.19 112.276 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.7 t -99.94 119.79 38.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.808 -1.087 . . . . 0.16 108.233 172.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.2 p -90.33 16.77 8.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 0.24 111.825 -174.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -70.45 137.86 86.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.242 -0.651 . . . . 0.26 109.242 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 113.52 1.19 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.893 2.396 . . . . 0.49 112.973 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 95.57 -7.05 68.21 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.5 112.469 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -100.35 -29.57 12.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.734 -0.274 . . . . 0.38 111.421 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 113' ' ' CYS . . . -55.08 -49.29 63.5 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 114.548 0.579 . . . . 0.61 114.548 -170.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.93 -20.41 64.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.837 0.351 . . . . 0.83 111.589 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.5 tp -98.94 -44.57 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.381 -0.372 . . . . 2.13 111.315 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.43 ' HE2' ' HB3' ' A' ' 16' ' ' MET . 37.8 mtt -98.92 82.44 2.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.987 0.422 . . . . 0.65 110.504 -172.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -153.43 153.15 31.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.742 -0.663 . . . . 1.13 110.461 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -154.15 -162.87 11.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.246 -0.741 . . . . 0.31 111.246 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -107.69 140.16 41.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.317 0.558 . . . . 1.48 112.125 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 111' ' ' PHE . 88.4 t -115.66 103.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.724 -0.843 . . . . 1.11 108.724 171.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 39.9 m -109.08 134.22 51.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.173 0.511 . . . . 0.97 111.573 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.58 123.62 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.524 -0.762 . . . . 1.44 109.855 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.65 154.68 14.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.421 . . . . 0.6 110.713 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 2.25 110.305 -178.055 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 65.4 m . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.159 0.504 . . . . 0.62 110.334 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.8 150.54 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.646 -0.707 . . . . 0.32 110.506 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.06 154.72 42.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 0.27 110.461 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 m -123.56 127.97 49.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.989 0.424 . . . . 0.84 110.637 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -116.94 130.96 70.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 0.87 109.977 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.08 129.03 48.3 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.304 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.8 p -118.28 135.22 54.42 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.241 -0.651 . . . . 0.97 109.241 175.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -122.5 -165.5 1.3 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.875 -0.33 . . . . 1.14 110.963 -173.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -90.13 4.29 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 2.26 111.763 -175.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -95.41 9.52 39.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.959 0.409 . . . . 1.59 110.4 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mtt 62.46 54.74 2.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.382 -0.827 . . . . 1.92 111.14 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -154.18 154.46 33.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.219 -0.446 . . . . 1.86 111.19 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE2' ' HG2' ' A' ' 122' ' ' MET . 60.4 m-85 -98.85 155.43 17.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.103 -1.073 . . . . 0.44 108.103 168.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -78.96 1.0 25.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 2.31 110.949 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -156.21 136.25 12.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.239 -0.437 . . . . 1.12 110.047 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -105.04 17.63 23.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.116 0.484 . . . . 2.18 110.172 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 30.7 t70 -143.64 134.36 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.672 -0.694 . . . . 2.06 110.531 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.2 mt -127.97 133.7 66.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.759 -0.46 . . . . 0.32 109.759 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -103.95 117.54 34.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.128 -0.487 . . . . 1.46 110.467 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 101' ' ' PRO . 85.9 t -107.2 120.92 59.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.068 -0.515 . . . . 0.31 110.208 178.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -77.43 121.35 23.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.039 0.447 . . . . 1.16 110.98 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.54 -19.05 60.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.784 -0.644 . . . . 0.98 110.672 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.98 63.1 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.409 0.623 . . . . 0.65 109.847 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 78.5 m -86.98 144.44 26.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.296 -0.865 . . . . 0.49 109.145 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 10.9 mptt -88.81 -23.75 22.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.752 0.311 . . . . 3.49 110.298 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -141.42 139.7 33.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 2.0 109.965 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -121.3 132.66 54.92 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.845 -0.428 . . . . 0.36 109.845 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 88.9 m -112.75 132.92 55.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.035 0.445 . . . . 0.32 111.137 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.09 130.43 74.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.088 -0.505 . . . . 0.23 110.094 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -110.24 126.35 54.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.28 -0.418 . . . . 0.28 110.462 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 tp -103.15 124.64 48.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.097 -0.501 . . . . 0.2 110.016 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -113.26 108.53 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.232 -0.44 . . . . 2.62 110.17 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.5 t60 -88.35 93.4 9.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.775 -0.454 . . . . 0.29 109.775 177.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 p -82.67 56.6 3.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 1.6 111.234 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.576 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -143.15 158.45 27.23 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.847 -0.901 . . . . 1.16 110.847 177.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -104.53 18.53 22.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.149 0.474 . . . . 1.53 111.854 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -99.47 136.52 20.36 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.168 -0.469 . . . . 2.08 110.466 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -65.42 153.11 79.7 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.4 2.733 . . . . 0.49 112.549 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -67.08 -19.03 65.59 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.659 -0.7 . . . . 1.82 111.831 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.46 -10.23 59.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.399 -0.364 . . . . 0.59 111.24 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 t -121.93 -55.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 1.51 110.311 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 tpp -127.54 68.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.651 0.738 . . . . 1.13 109.284 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.8 152.51 20.33 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 114.999 -1.0 . . . . 0.14 111.405 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.447 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 85.6 m-70 -134.25 151.36 51.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.991 0.424 . . . . 0.15 110.65 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -146.78 168.79 20.51 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.365 -0.834 . . . . 1.48 108.916 172.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 8.8 tt -133.37 117.24 17.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.723 -0.473 . . . . 0.22 109.723 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 7.4 p -117.81 146.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.891 -0.595 . . . . 1.46 109.686 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.414 HD12 ' CD2' ' A' ' 99' ' ' LEU . 46.4 mt -121.25 123.68 70.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.376 -0.375 . . . . 0.51 110.21 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.577 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -148.04 174.12 12.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 0.32 110.708 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.59 127.65 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 1.46 109.951 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HB2' ' A' ' 59' ' ' MET . . . -56.58 -32.93 65.69 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.378 0.881 . . . . 0.77 113.378 -169.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.62 -9.17 59.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.73 0.3 . . . . 2.89 111.516 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.83 8.12 8.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.665 0.745 . . . . 2.15 109.853 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.577 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 12.0 tpt -65.11 -34.87 79.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.361 -0.836 . . . . 0.78 110.884 -175.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 1.8 m-20 -62.3 -35.7 79.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.27 110.635 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.01 -28.81 72.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.892 -0.671 . . . . 0.66 111.681 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 81' ' ' ARG . 43.6 t -65.56 -39.97 86.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.55 110.386 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -68.59 -31.74 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.53 110.709 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.5 mtpt -69.68 -39.06 77.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.531 . . . . 3.03 110.32 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -73.89 -28.48 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.093 -0.503 . . . . 2.28 110.403 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 -44.87 48.49 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.556 -0.747 . . . . 0.5 113.224 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.71 -19.11 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.386 . . . . 1.04 111.39 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.38 16.32 55.31 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.57 -0.824 . . . . 0.53 112.412 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.415 ' HB1' ' CG2' ' A' ' 72' ' ' THR . . . -132.03 48.72 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.99 0.424 . . . . 0.38 111.447 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.62 111.479 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.81 -15.65 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 2.44 111.614 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.415 ' CG2' ' HB1' ' A' ' 69' ' ' ALA . 3.2 t -131.54 55.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.66 0.743 . . . . 1.46 110.932 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 56.8 28.2 14.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.058 -0.973 . . . . 1.66 112.489 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.497 ' CD2' HD11 ' A' ' 88' ' ' LEU . 47.3 m-85 60.65 39.52 17.58 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.114 0.566 . . . . 0.68 112.192 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 1.38 110.088 170.328 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.413 ' HB3' HG22 ' A' ' 62' ' ' VAL . 71.5 mtt180 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.98 0.419 . . . . 2.33 111.133 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.5 t -130.28 84.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 0.78 110.294 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.32 -39.22 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.505 0.669 . . . . 0.91 109.683 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -162.95 151.15 13.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.883 -1.053 . . . . 0.36 109.251 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 30.4 t-80 -156.62 133.88 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 1.96 111.703 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.604 HG23 HD23 ' A' ' 97' ' ' LEU . 30.9 p -88.73 145.5 25.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.5 109.884 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.55 154.34 42.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.547 -0.297 . . . . 2.85 110.611 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.497 HD11 ' CD2' ' A' ' 74' ' ' TYR . 34.9 mt -60.97 114.66 3.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.165 -0.47 . . . . 1.24 110.108 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 14.0 pt -109.24 135.01 49.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-O 121.198 0.523 . . . . 0.35 111.238 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.92 -139.33 10.75 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.066 -0.97 . . . . 0.79 112.866 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -69.62 110.87 3.55 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.303 -0.475 . . . . 0.81 113.225 -174.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.61 28.82 58.75 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.855 -0.688 . . . . 0.8 112.807 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 59.0 mt-10 -113.96 161.21 17.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 2.34 110.783 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -143.07 153.15 42.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.506 -0.77 . . . . 1.86 109.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.535 ' OG ' ' HB ' ' A' ' 86' ' ' THR . 15.5 p -148.87 153.47 38.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.675 0.274 . . . . 1.35 110.433 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -128.75 158.92 37.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 1.0 110.792 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.604 HD23 HG23 ' A' ' 86' ' ' THR . 4.2 pp -138.44 161.27 37.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.26 109.61 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 36.3 m -135.04 131.78 37.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.251 -0.648 . . . . 1.14 109.251 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' A' ' 53' ' ' ILE . 3.6 pp -129.37 158.87 37.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.371 . . . . 0.49 111.261 -175.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.05 111.46 54.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.618 -0.719 . . . . 2.08 109.794 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.416 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 31.0 Cg_endo -63.99 -19.8 66.97 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.997 2.465 . . . . 0.53 113.414 -173.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.45 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.053 0.454 . . . . 0.62 110.99 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -81.18 -22.43 38.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 2.92 110.614 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.96 -8.54 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 1.3 110.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.32 -6.16 50.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 1.08 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.1 -31.22 62.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.84 -0.618 . . . . 2.04 111.438 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.7 -147.45 8.45 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.928 -1.129 . . . . 0.74 113.169 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.55 115.49 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 2.02 110.136 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 13.6 m-85 -107.7 151.92 25.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.176 -0.466 . . . . 0.4 111.647 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.408 ' HG2' ' HD2' ' A' ' 125' ' ' LYS . 63.0 mtpt -137.65 159.62 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 1.53 110.381 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 38.6 p90 -122.43 150.14 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.17 -0.678 . . . . 0.23 109.17 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.62 164.92 19.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.19 111.672 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 41.0 t -92.94 121.45 34.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.992 -1.004 . . . . 0.16 108.359 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.1 p -88.88 15.54 8.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.063 0.394 . . . . 0.24 112.063 -173.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -69.58 131.47 89.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.746 -0.835 . . . . 0.26 108.746 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.58 115.43 2.39 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.922 2.415 . . . . 0.49 112.523 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.98 -30.62 9.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.438 -0.665 . . . . 0.5 111.438 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -80.17 -44.25 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.619 0.247 . . . . 0.38 110.464 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -16.95 20.9 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 114.342 0.497 . . . . 0.61 114.342 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.1 -32.69 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.986 0.393 . . . . 0.83 111.77 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.82 -7.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 2.13 111.784 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.496 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 9.2 ttm -109.8 73.85 0.86 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.37 0.605 . . . . 0.65 109.687 -175.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -143.01 168.59 19.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.269 -0.878 . . . . 1.13 110.824 -174.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -165.61 -176.32 36.95 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.851 -0.69 . . . . 0.31 112.188 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 28.3 mmmt -104.64 132.61 50.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.672 0.272 . . . . 1.48 110.447 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.5 p -110.79 115.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.007 -0.738 . . . . 1.11 109.007 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.5 m -104.98 131.99 51.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.437 -0.801 . . . . 0.97 111.144 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.73 112.74 21.33 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.068 -0.715 . . . . 1.44 109.068 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.72 172.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.767 -0.651 . . . . 0.6 110.491 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.247 -0.433 . . . . 2.25 111.343 -179.031 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 62.9 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.288 0.566 . . . . 0.62 110.373 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.96 154.03 33.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 0.32 110.254 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.44 26.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.0 -0.545 . . . . 0.27 110.211 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -109.64 115.4 29.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.993 0.425 . . . . 0.84 110.118 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.9 t -108.26 122.97 63.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.944 -0.571 . . . . 0.87 109.915 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.546 ' H ' ' HB2' ' A' ' 19' ' ' ASN . 32.8 mt-10 -93.84 143.07 26.67 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 1.98 109.843 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -132.13 136.84 47.4 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.305 -0.628 . . . . 0.97 109.305 175.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -125.61 -176.58 3.64 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.921 -0.312 . . . . 1.14 110.841 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -83.75 2.26 38.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 2.26 110.368 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -88.39 5.0 44.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 1.59 110.35 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.0 mtp 67.01 54.76 0.74 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.306 -0.861 . . . . 1.92 111.362 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -157.95 171.33 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.86 110.533 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -115.2 172.89 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.44 110.994 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.546 ' HB2' ' H ' ' A' ' 11' ' ' GLU . 23.3 t-20 -66.58 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 2.31 110.525 173.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -147.76 159.82 43.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.583 . . . . 1.12 110.156 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -118.24 7.86 12.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 2.18 109.39 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.21 135.83 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.168 -0.924 . . . . 2.06 110.0 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.18 129.97 67.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.435 . . . . 0.32 110.075 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -107.58 114.1 27.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.07 -0.513 . . . . 1.46 110.825 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.06 118.46 45.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 0.31 110.292 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.408 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 22.5 m -80.85 121.95 26.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.062 0.458 . . . . 1.16 110.571 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.04 -24.69 67.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.669 -0.696 . . . . 0.98 112.431 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.48 6.89 9.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.044 0.449 . . . . 0.65 111.539 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 26' ' ' SER . 71.5 m -100.63 141.24 33.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.194 -0.457 . . . . 0.49 110.396 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -64.71 -50.07 68.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.83 -0.623 . . . . 3.49 110.292 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -138.97 148.9 44.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 2.0 109.806 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.1 t80 -108.74 115.75 30.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.354 -0.61 . . . . 0.36 109.354 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -97.86 109.08 21.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.253 0.549 . . . . 0.32 111.406 -174.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -100.04 120.35 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 0.23 109.906 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -108.56 121.94 46.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.289 -0.414 . . . . 0.28 110.803 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 30.4 tp -100.88 126.45 47.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.037 -0.529 . . . . 0.2 109.878 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -120.63 110.12 16.05 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.28 -0.418 . . . . 2.62 109.938 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.1 t60 -85.21 91.86 8.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 0.29 110.126 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -82.38 77.16 9.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.081 -0.963 . . . . 1.6 110.372 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.04 -175.42 22.91 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.585 -1.006 . . . . 1.16 110.585 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.5 p -125.08 13.87 8.41 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 117.186 0.493 . . . . 1.53 111.34 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 13.7 mm100 -93.03 135.71 25.52 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.21 -0.45 . . . . 2.08 111.173 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.63 154.48 68.21 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.863 2.375 . . . . 0.49 111.38 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -67.13 -15.69 63.87 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.605 0.594 . . . . 1.82 112.605 -171.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.7 -12.78 59.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.934 0.397 . . . . 0.59 111.104 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -111.79 -58.38 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.386 -0.37 . . . . 1.51 110.277 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.422 ' HB3' ' CB ' ' A' ' 42' ' ' GLN . 56.7 tpp -133.38 71.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.324 0.583 . . . . 1.13 109.632 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.38 152.26 20.14 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.458 -0.792 . . . . 0.14 111.299 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.455 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 86.5 m-70 -135.42 153.4 51.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.15 110.886 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -143.49 175.26 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.624 -0.716 . . . . 1.48 109.135 169.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -135.02 114.31 12.33 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.41 -0.589 . . . . 0.22 109.41 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 21.6 m -110.74 149.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 1.46 110.633 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.3 mm -116.01 116.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.949 -0.569 . . . . 0.51 109.676 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.74 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -148.9 172.23 15.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 0.32 110.773 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.7 150.33 37.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.391 -0.368 . . . . 1.46 110.825 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.93 -51.42 63.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.365 . . . . 0.77 111.945 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.76 -27.6 65.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 2.89 111.777 -176.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -97.06 -0.34 47.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.996 0.427 . . . . 2.15 110.917 -174.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.74 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 7.2 tpt -67.22 -35.07 78.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 0.78 110.874 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.97 -41.27 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 2.27 111.039 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.93 -29.9 73.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.799 -0.715 . . . . 0.66 111.866 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.63 -45.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.744 0.307 . . . . 0.55 110.573 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.476 ' O ' HG23 ' A' ' 67' ' ' VAL . 44.4 m-85 -65.35 -41.13 94.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.405 -0.361 . . . . 0.53 110.681 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -61.22 -49.19 78.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 3.03 110.857 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.22 -30.37 64.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 2.28 109.952 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.64 92.63 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.364 -0.834 . . . . 0.5 112.725 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 63' ' ' PHE . 87.2 t -61.03 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 1.04 110.678 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.87 8.45 79.78 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.908 -0.663 . . . . 0.53 112.128 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 72' ' ' THR . . . -116.34 41.23 2.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.501 . . . . 0.38 110.641 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.11 67.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.62 111.604 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 -11.77 59.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.954 -0.567 . . . . 2.44 111.81 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.428 ' CG2' ' HB1' ' A' ' 69' ' ' ALA . 5.4 t -130.81 54.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.603 0.716 . . . . 1.46 111.174 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 63.51 23.38 13.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.264 -0.88 . . . . 1.66 112.315 171.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 60.47 35.58 20.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.005 -0.543 . . . . 0.68 111.563 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 1.38 109.957 177.932 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 120.962 0.411 . . . . 2.33 110.127 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 t -89.0 117.88 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.651 -0.704 . . . . 0.78 110.051 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.01 -44.0 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 0.91 110.186 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.32 156.64 26.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.408 -0.814 . . . . 0.36 109.579 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -151.97 150.4 29.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.921 0.391 . . . . 1.96 110.872 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.489 HG23 HD23 ' A' ' 97' ' ' LEU . 76.8 p -89.51 176.47 6.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.714 -0.847 . . . . 0.5 108.714 169.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -90.37 164.22 14.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.501 -0.555 . . . . 2.85 109.501 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -80.09 100.75 8.36 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.049 -0.723 . . . . 1.24 109.049 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.2 pt -103.71 147.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.343 0.592 . . . . 0.35 112.163 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.32 -171.96 32.29 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.174 -0.921 . . . . 0.79 111.683 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.45 112.89 5.13 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.073 -0.584 . . . . 0.81 112.595 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.16 -9.23 18.06 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.631 -0.795 . . . . 0.8 112.55 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -106.99 156.0 19.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 2.34 111.249 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -123.67 156.95 34.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.485 -0.78 . . . . 1.86 109.691 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 t -153.15 141.22 20.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 1.35 109.779 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 m -129.33 161.57 29.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 1.0 111.012 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -142.98 159.77 41.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 0.26 109.874 176.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -128.39 124.39 36.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 1.14 110.37 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.2 pp -121.1 154.86 35.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.777 -0.453 . . . . 0.49 109.777 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.9 p30 -95.42 135.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.921 -0.4 . . . . 2.08 109.921 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 17.8 Cg_exo -67.0 -12.24 35.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.792 2.328 . . . . 0.53 112.872 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.36 75.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.78 0.324 . . . . 0.62 110.697 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -67.12 -31.57 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.304 -0.407 . . . . 2.92 110.767 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.587 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.27 -17.71 44.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.839 0.352 . . . . 1.3 111.014 -178.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.19 60.94 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.11 -0.495 . . . . 1.08 110.472 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -167.97 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 2.04 111.813 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.5 -173.73 18.84 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.655 -1.26 . . . . 0.74 113.742 -175.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.74 117.15 29.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.749 -0.463 . . . . 2.02 109.749 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.587 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 40.6 m-85 -106.92 154.54 20.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.336 0.588 . . . . 0.4 112.038 -176.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.28 154.79 45.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.521 -0.763 . . . . 1.53 109.353 175.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 48.1 p90 -115.39 153.84 30.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.308 -0.627 . . . . 0.23 109.308 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.21 167.17 18.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.571 0.582 . . . . 0.19 112.571 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 44.9 t -96.23 124.59 40.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.444 -1.253 . . . . 0.16 108.304 171.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.8 p -92.84 11.0 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.299 0.481 . . . . 0.24 112.299 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -63.75 134.35 95.87 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.336 -0.616 . . . . 0.26 109.336 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.16 107.79 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.107 2.538 . . . . 0.49 113.324 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.93 -25.63 23.33 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.724 -0.671 . . . . 0.5 112.191 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -79.12 -36.4 40.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.544 0.212 . . . . 0.38 111.167 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.13 -30.9 61.31 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 116.17 -0.468 . . . . 0.61 114.147 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.28 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.813 0.301 . . . . 0.83 111.813 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 32.9 tp -120.16 -38.81 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 2.13 111.435 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.3 mtt -90.51 72.76 6.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.947 0.403 . . . . 0.65 110.713 -174.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -147.12 149.08 32.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 1.13 110.274 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.51 13.49 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.798 -0.637 . . . . 0.31 111.88 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -104.08 141.48 36.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 1.48 111.107 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.21 114.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.209 -0.663 . . . . 1.11 109.209 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.9 m -116.72 141.21 48.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.583 -0.735 . . . . 0.97 111.38 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 20.0 tp -80.6 125.11 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 1.44 109.456 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.0 m -110.17 154.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.251 0.548 . . . . 0.6 111.019 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 2.25 110.477 -175.847 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 64.7 m . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.154 0.502 . . . . 0.62 110.667 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -145.84 146.01 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.009 -0.541 . . . . 0.32 110.386 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 140.02 50.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.221 -0.445 . . . . 0.27 110.846 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 m -105.15 122.87 46.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.21 -0.45 . . . . 0.84 110.128 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.4 t -122.2 130.5 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.751 -0.462 . . . . 0.87 109.751 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.97 142.62 44.15 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.618 -0.512 . . . . 1.98 109.618 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -122.56 134.35 54.54 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.144 -0.687 . . . . 0.97 109.144 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -113.83 -170.48 1.71 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.138 0.494 . . . . 1.14 111.832 -169.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.733 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 7.3 p-10 -84.05 5.56 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.703 -0.68 . . . . 2.26 111.145 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -96.64 7.02 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.185 0.517 . . . . 1.59 109.896 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.25 53.09 5.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.875 -1.057 . . . . 1.92 111.176 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -155.56 154.54 31.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 1.86 110.61 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 48.5 m-85 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.44 109.869 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -61.61 -21.27 64.21 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.867 -0.606 . . . . 2.31 111.931 176.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -138.39 160.89 38.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.188 0.518 . . . . 1.12 111.567 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -115.65 -7.0 12.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 2.18 110.521 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 7.5 p-10 -143.62 136.04 27.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 2.06 110.922 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 93.3 mt -128.91 130.28 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.706 -0.479 . . . . 0.32 109.706 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -108.06 125.03 51.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.291 -0.413 . . . . 1.46 110.408 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -103.08 117.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.054 -0.521 . . . . 0.31 110.404 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.2 t -74.7 125.54 28.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.007 -0.542 . . . . 1.16 110.747 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 130' ' ' ASP . 19.8 ptpt -75.78 -9.18 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.98 110.362 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.56 -1.08 22.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.271 0.558 . . . . 0.65 110.398 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.555 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 85.9 m -112.02 138.47 48.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.529 -0.76 . . . . 0.49 109.612 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -74.75 -32.73 62.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.232 0.539 . . . . 3.49 109.798 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.93 139.91 45.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.587 -0.733 . . . . 2.0 109.987 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -117.87 124.24 47.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.317 -0.623 . . . . 0.36 109.317 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 27.5 m -108.32 132.77 53.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.32 110.929 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -120.37 123.39 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.194 -0.457 . . . . 0.23 109.925 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -105.3 120.57 41.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.293 -0.412 . . . . 0.28 110.239 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 28.6 tp -106.63 129.28 54.57 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.064 -0.516 . . . . 0.2 109.698 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -129.13 128.37 43.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 2.62 110.132 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.575 ' O ' ' HA2' ' A' ' 92' ' ' GLY . 0.9 OUTLIER -87.02 102.26 14.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.663 -0.699 . . . . 0.29 110.066 -176.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 p -79.42 53.87 1.62 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.724 0.773 . . . . 1.6 110.599 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.43 129.28 2.65 Favored Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 115.19 -0.914 . . . . 1.16 110.88 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -82.55 10.09 8.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.467 0.651 . . . . 1.53 110.774 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.59 131.58 60.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 2.08 110.467 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.09 157.68 55.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.569 2.846 . . . . 0.49 112.426 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -69.76 -16.79 63.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.627 -0.715 . . . . 1.82 112.077 -171.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -20.53 45.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.441 -0.345 . . . . 0.59 110.881 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -105.65 -46.79 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.449 . . . . 1.51 110.782 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.733 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 47.2 ttm -152.07 80.59 1.26 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.296 0.57 . . . . 1.13 110.102 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.47 158.2 19.36 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.795 -0.716 . . . . 0.14 111.431 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 82.1 m-70 -131.27 151.46 51.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.357 -0.537 . . . . 0.15 111.058 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.75 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 30.3 t30 -151.71 136.0 16.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.263 -0.881 . . . . 1.48 109.078 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -111.49 115.56 29.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.047 0.451 . . . . 0.22 110.038 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 20.5 m -114.6 146.41 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.803 -0.635 . . . . 1.46 110.528 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.0 mt -114.59 117.54 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.27 -0.423 . . . . 0.51 109.868 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.56 172.72 12.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 0.32 110.801 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -70.52 139.54 51.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.736 -0.665 . . . . 1.46 110.381 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.87 -57.7 4.67 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.186 0.81 . . . . 0.77 113.186 -172.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -85.37 0.99 50.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.84 0.311 . . . . 2.89 111.84 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -100.73 -7.88 23.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 2.15 110.082 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 mmt -54.0 -35.44 61.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.581 -0.736 . . . . 0.78 111.929 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.83 -44.92 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 2.27 110.822 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.28 -31.09 64.03 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.929 -0.653 . . . . 0.66 111.533 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.91 -46.51 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.216 . . . . 0.55 110.536 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -65.79 -40.84 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.543 0.211 . . . . 0.53 110.74 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -58.27 -54.87 42.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 3.03 110.848 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.33 -15.44 59.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 2.28 111.0 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.05 -48.16 8.63 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.118 -0.563 . . . . 0.5 111.931 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.1 -32.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 1.04 109.877 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.11 16.45 33.16 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.649 -0.705 . . . . 0.53 112.243 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.49 43.31 2.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.211 0.529 . . . . 0.38 110.161 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.62 -30.93 69.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.591 -0.731 . . . . 0.62 111.568 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.37 -11.95 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 2.44 111.531 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.5 t -135.06 60.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.507 0.67 . . . . 1.46 111.484 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.92 20.73 11.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.366 -0.834 . . . . 1.66 112.898 170.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 60.77 33.34 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.68 111.257 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.281 -0.637 . . . . 1.38 109.281 174.224 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 121.228 0.537 . . . . 2.33 110.08 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.25 123.06 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.723 -0.672 . . . . 0.78 109.675 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -75.63 -42.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.126 0.489 . . . . 0.91 110.213 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.27 151.7 21.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.566 -0.743 . . . . 0.36 109.915 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -154.95 140.47 17.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.887 0.375 . . . . 1.96 111.138 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.524 HG23 HD23 ' A' ' 97' ' ' LEU . 32.2 p -83.18 -179.27 7.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.5 109.431 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -105.22 155.3 19.19 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.726 -0.472 . . . . 2.85 109.726 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 tp -66.29 115.57 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 1.24 110.758 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.3 pt -113.95 138.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 0.35 111.737 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -140.53 164.2 26.35 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.79 112.066 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.37 20.89 63.81 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 114.49 0.556 . . . . 0.81 114.49 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 38' ' ' HIS . . . 103.19 5.48 46.47 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.318 -0.944 . . . . 0.8 113.503 176.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.07 166.57 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 2.34 111.081 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.54 157.5 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.765 -0.652 . . . . 1.86 110.778 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.2 t -154.65 151.55 28.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.311 -0.626 . . . . 1.35 109.311 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -130.84 157.19 43.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.833 0.349 . . . . 1.0 110.959 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.524 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -134.51 159.32 41.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 0.26 109.907 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 m -133.39 124.67 27.55 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.293 -0.632 . . . . 1.14 109.293 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 pp -118.07 156.38 28.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.972 0.415 . . . . 0.49 111.593 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 102' ' ' ALA . 31.9 t70 -94.61 112.51 58.12 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 2.08 109.461 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.22 -12.58 33.38 Favored 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.808 2.339 . . . . 0.53 113.925 -173.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.427 ' HB3' ' OD2' ' A' ' 100' ' ' ASP . . . -70.73 -25.44 62.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.776 0.322 . . . . 0.62 110.747 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -67.72 -31.09 70.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 2.92 110.905 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.433 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -85.6 2.58 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 1.3 111.326 -175.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.93 -14.75 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.172 -0.467 . . . . 1.08 110.523 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -116.98 66.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.071 -0.513 . . . . 2.04 111.004 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.49 172.57 13.27 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.538 -0.839 . . . . 0.74 112.744 174.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -99.7 121.02 40.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.149 0.5 . . . . 2.02 109.891 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.433 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 51.7 m-85 -106.33 155.44 19.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.732 -0.667 . . . . 0.4 110.842 -177.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 124' ' ' GLY . 34.2 mtmt -131.92 163.05 29.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.056 -0.52 . . . . 1.53 109.899 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.596 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 50.1 p90 -117.85 144.09 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.967 -0.753 . . . . 0.23 108.967 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.89 163.15 38.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.919 0.39 . . . . 0.19 111.826 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 14.9 t -96.43 119.87 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.296 -0.865 . . . . 0.16 108.799 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -86.57 10.25 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.051 0.389 . . . . 0.24 112.051 -174.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -69.18 133.02 89.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.765 -0.828 . . . . 0.26 108.765 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.32 116.61 3.27 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.708 2.272 . . . . 0.49 112.905 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.77 -12.37 65.97 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.738 -0.665 . . . . 0.5 112.143 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -91.73 -27.32 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.86 0.318 . . . . 0.38 111.86 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.84 -41.25 58.25 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.285 -0.483 . . . . 0.61 113.245 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.53 65.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.945 0.35 . . . . 0.83 111.945 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.1 mt -101.32 -16.65 16.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.052 0.453 . . . . 2.13 111.292 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.526 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 9.3 mtm -130.98 81.26 1.98 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.65 111.375 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.31 143.37 23.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 1.13 109.478 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 110' ' ' LYS . . . -154.35 -176.07 26.25 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.058 -0.591 . . . . 0.31 111.952 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 22.4 tptm -103.71 136.26 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 1.48 111.39 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -123.49 118.33 54.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.349 -0.611 . . . . 1.11 109.349 173.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -122.39 141.95 51.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.883 -0.599 . . . . 0.97 111.347 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.46 131.34 36.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 1.44 109.978 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.6 m -120.74 155.16 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.452 . . . . 0.6 110.818 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . 22.0 t70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.625 -0.716 . . . . 2.25 110.492 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.5 m . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.862 0.363 . . . . 0.62 111.603 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.29 149.58 29.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.416 -0.356 . . . . 0.32 110.586 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.8 148.21 33.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.146 -0.479 . . . . 0.27 110.618 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 m -114.97 126.09 54.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.282 -0.417 . . . . 0.84 110.049 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.9 t -118.0 129.08 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.897 0.379 . . . . 0.87 110.38 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -100.91 130.87 46.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.065 -0.516 . . . . 1.98 110.619 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 8.7 p -116.76 137.03 52.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.64 -0.504 . . . . 0.97 109.64 175.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -122.9 170.38 10.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.555 -0.293 . . . . 1.14 110.78 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.92 2.25 18.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.113 0.412 . . . . 2.26 112.113 -176.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 10.23 28.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 1.59 110.722 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp 63.1 69.37 0.58 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.258 -0.883 . . . . 1.92 112.199 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -160.16 157.62 28.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.919 0.39 . . . . 1.86 110.629 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.22 146.06 26.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.483 -0.78 . . . . 0.44 109.065 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.53 -31.18 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 2.31 110.787 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 t -126.02 150.99 47.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.732 -0.47 . . . . 1.12 109.732 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -103.0 -16.05 15.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.002 0.43 . . . . 2.18 110.601 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -135.95 142.24 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.023 -0.535 . . . . 2.06 110.095 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.87 129.05 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 0.32 110.01 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -108.35 125.04 51.26 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.081 -0.508 . . . . 1.46 110.085 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.83 120.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.86 -0.609 . . . . 0.31 110.434 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.4 m -81.34 120.4 24.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 1.16 111.138 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HA ' ' HB2' ' A' ' 101' ' ' PRO . 21.9 ptmt -67.83 -18.28 64.78 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.904 -0.589 . . . . 0.98 111.171 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.52 -8.18 38.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 0.65 111.215 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 86.2 m -97.41 140.72 31.43 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.866 -0.606 . . . . 0.49 109.968 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.48 -31.85 67.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 3.49 110.19 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.1 144.28 25.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 2.0 109.964 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -117.3 128.82 55.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.197 -0.668 . . . . 0.36 109.197 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 89.5 m -116.91 134.59 54.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.057 0.456 . . . . 0.32 110.91 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -122.88 125.28 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 0.23 109.83 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 m -106.92 122.32 46.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 0.28 110.771 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -97.32 124.11 41.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.866 -0.607 . . . . 0.2 110.017 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' CD ' ' HB3' ' A' ' 94' ' ' GLU . 57.1 tptt -116.16 110.06 18.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.638 -0.504 . . . . 2.62 109.638 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.46 ' HD2' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -92.94 99.95 12.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.29 110.321 -177.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -78.81 147.24 33.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.796 -0.638 . . . . 1.6 109.472 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 -168.49 23.16 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.785 -0.721 . . . . 1.16 111.9 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.1 m -126.71 -24.43 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.765 0.283 . . . . 1.53 111.765 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.63 137.2 92.78 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.063 0.459 . . . . 2.08 111.982 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -73.15 159.63 47.05 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 123.235 2.623 . . . . 0.49 112.254 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -63.79 -25.99 68.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.243 -0.889 . . . . 1.82 113.169 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.5 53.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.779 0.323 . . . . 0.59 111.347 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -101.62 -52.42 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 1.51 110.262 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.5 tpp -136.77 65.87 1.49 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.535 0.683 . . . . 1.13 109.23 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.18 156.08 22.64 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.122 -0.945 . . . . 0.14 111.674 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.467 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 89.2 m-70 -136.57 148.13 47.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.866 0.365 . . . . 0.15 110.702 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -140.43 167.39 22.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.892 -0.781 . . . . 1.48 108.892 168.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -130.22 110.33 11.48 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.833 -0.803 . . . . 0.22 108.833 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.3 m -109.62 142.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.84 -0.618 . . . . 1.46 110.261 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 110' ' ' LYS . 43.5 mt -119.83 122.44 68.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.949 0.404 . . . . 0.51 109.975 176.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.42 161.18 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.631 -0.713 . . . . 0.32 110.643 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -68.78 123.39 20.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.495 -0.775 . . . . 1.46 109.573 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.27 15.14 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.222 0.823 . . . . 0.77 113.222 -169.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.96 -32.37 67.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 2.89 111.958 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 5.8 m-20 -102.98 -5.57 23.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.058 0.456 . . . . 2.15 110.507 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 110' ' ' LYS . 22.0 ttt -75.0 -24.33 58.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.78 111.168 -175.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.85 -42.66 89.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 2.27 109.832 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.55 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.316 -0.856 . . . . 0.66 112.222 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 59' ' ' MET . 75.9 t -72.7 -44.89 59.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.608 0.242 . . . . 0.55 110.548 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 67' ' ' VAL . 79.4 m-85 -62.4 -49.74 74.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.53 110.478 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.18 -38.4 91.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.642 -0.708 . . . . 3.03 111.257 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -73.56 -39.79 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.953 0.406 . . . . 2.28 110.603 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.47 -30.98 77.46 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.71 -0.677 . . . . 0.5 113.341 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 63' ' ' PHE . 81.1 t -60.17 -33.17 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.002 0.429 . . . . 1.04 110.696 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.38 -8.29 85.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.53 112.428 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -106.71 49.8 0.79 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.962 0.411 . . . . 0.38 110.815 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.61 -31.97 71.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 0.62 111.821 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -80.21 -17.07 53.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.19 -0.459 . . . . 2.44 111.777 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 69' ' ' ALA . 22.6 p -117.38 52.63 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.89 0.376 . . . . 1.46 111.429 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 62.02 22.53 13.15 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.761 -0.654 . . . . 1.66 112.072 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 60.04 32.27 20.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.3 0.571 . . . . 0.68 111.494 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 108.53 -0.915 . . . . 1.38 108.53 172.171 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HD3' ' O ' ' A' ' 58' ' ' ASP . 78.9 mtt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.097 0.475 . . . . 2.33 110.244 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.7 t -87.14 128.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.712 -0.676 . . . . 0.78 110.408 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.99 -40.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.91 110.228 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 97' ' ' LEU . . . -157.96 150.5 22.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.758 -0.656 . . . . 0.36 110.47 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -155.29 142.99 19.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 1.96 111.031 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.571 HG23 HD23 ' A' ' 97' ' ' LEU . 72.0 p -91.01 167.9 12.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.532 -0.544 . . . . 0.5 109.532 172.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -93.85 161.51 14.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.335 -0.393 . . . . 2.85 109.985 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 88' ' ' LEU . 15.9 mt -66.05 115.55 6.21 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.223 0.535 . . . . 1.24 110.74 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.46 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 20.0 pt -114.33 137.61 47.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.396 -0.82 . . . . 0.35 111.003 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.42 -173.09 48.23 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.73 -0.668 . . . . 0.79 112.122 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.57 111.52 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.102 -0.57 . . . . 0.81 112.755 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.94 -16.95 22.82 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.182 -0.532 . . . . 0.8 112.09 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 43.1 mt-10 -86.87 171.02 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 2.34 111.635 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.426 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 11.3 pt-20 -153.97 148.19 25.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.547 -0.751 . . . . 1.86 110.328 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -154.46 148.96 26.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.261 -0.644 . . . . 1.35 109.261 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -122.96 159.25 28.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.951 0.405 . . . . 1.0 111.349 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.571 HD23 HG23 ' A' ' 86' ' ' THR . 4.2 pp -130.94 162.54 29.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.766 -0.652 . . . . 0.26 109.706 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -139.78 133.2 30.08 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.234 -0.284 . . . . 1.14 110.234 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.4 ' CD2' HD12 ' A' ' 53' ' ' ILE . 4.0 pp -136.78 161.96 34.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 0.49 111.378 -176.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -97.33 114.85 65.42 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 115.842 -0.617 . . . . 2.08 110.071 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.479 ' HB2' ' HA ' ' A' ' 27' ' ' LYS . 50.7 Cg_exo -53.66 -26.88 39.62 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.401 2.734 . . . . 0.53 113.324 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.43 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.62 111.255 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -77.34 -25.64 51.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.076 0.465 . . . . 2.92 110.817 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.598 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.9 mp -84.52 -6.67 59.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 1.3 110.777 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.49 -3.32 42.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.861 -0.609 . . . . 1.08 111.446 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -86.5 -16.59 36.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 2.04 112.156 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.63 -160.92 26.47 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 119.842 -1.171 . . . . 0.74 113.162 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -94.71 120.68 35.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.56 0.695 . . . . 2.02 110.72 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 11.6 m-85 -106.47 155.07 19.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.303 -0.862 . . . . 0.4 110.497 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.784 ' HB2' ' SD ' ' A' ' 59' ' ' MET . 40.1 mtpt -126.84 162.74 25.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.201 -0.454 . . . . 1.53 110.308 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.631 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.4 p90 -126.34 142.56 51.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.578 -0.897 . . . . 0.23 108.578 172.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.64 167.39 23.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.053 0.454 . . . . 0.19 111.785 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 19.9 t -99.88 119.36 38.08 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.061 -1.088 . . . . 0.16 108.061 173.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.4 p -86.62 5.81 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.159 0.429 . . . . 0.24 112.159 -172.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.18 125.83 89.02 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.04 -0.726 . . . . 0.26 109.04 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.84 115.1 2.11 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.829 2.353 . . . . 0.49 112.517 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.13 48.11 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.928 -0.653 . . . . 0.5 111.814 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.8 m170 -107.96 -30.04 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.008 0.373 . . . . 0.38 112.008 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.25 -16.66 67.25 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.24 -0.505 . . . . 0.61 114.084 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.71 -33.55 64.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.176 0.488 . . . . 0.83 111.388 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 66.4 tp -107.6 -42.0 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.979 0.419 . . . . 2.13 110.78 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 118' ' ' HIS . 10.4 mtm -82.01 74.92 8.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 0.65 111.129 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -150.96 143.45 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.714 -0.675 . . . . 1.13 110.242 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -155.66 -176.03 27.36 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.927 -0.579 . . . . 0.31 111.673 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.452 ' HD2' ' HG2' ' A' ' 110' ' ' LYS . 12.3 mmmm -105.77 140.71 38.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 1.48 111.916 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.3 t -107.96 111.74 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 1.11 108.688 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.4 m -99.28 124.72 44.59 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.162 -0.472 . . . . 0.97 110.934 -173.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 27' ' ' LYS . 1.4 tm? -85.12 108.03 17.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.189 -0.671 . . . . 1.44 109.189 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 23.0 m -108.53 173.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.266 -0.425 . . . . 0.6 110.731 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 2.25 111.147 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 80.6 m . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.351 0.596 . . . . 0.62 109.564 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.76 159.92 43.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 0.32 110.366 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.9 141.38 26.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.143 -0.48 . . . . 0.27 109.958 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.2 m -111.69 119.4 38.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.991 0.424 . . . . 0.84 110.787 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.74 140.27 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.789 -0.642 . . . . 0.87 109.647 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -114.41 134.03 55.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.895 0.378 . . . . 1.98 110.783 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 p -118.96 136.68 53.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.728 -0.669 . . . . 0.97 109.507 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 39' ' ' THR . 18.6 p30 -116.35 172.19 7.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.591 0.234 . . . . 1.14 111.265 -175.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.79 -5.7 32.15 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.08 -0.509 . . . . 2.26 111.18 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.9 15.98 11.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.029 0.443 . . . . 1.59 110.866 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 87.7 mtp 58.56 61.73 2.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.173 -0.921 . . . . 1.92 112.59 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -166.76 155.82 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.991 0.424 . . . . 1.86 111.233 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -91.56 153.13 19.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.935 -1.03 . . . . 0.44 108.734 172.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -77.51 -5.19 49.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.702 0.286 . . . . 2.31 111.204 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 t -151.08 149.19 29.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 1.12 110.42 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -114.91 9.38 16.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.306 -0.406 . . . . 2.18 110.582 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.72 127.58 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 2.06 111.056 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 92.9 mt -132.92 125.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.029 -0.532 . . . . 0.32 109.743 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -107.91 124.12 49.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.113 -0.494 . . . . 1.46 110.398 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -102.71 117.13 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.878 -0.601 . . . . 0.31 109.721 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -78.75 122.87 26.57 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.175 -0.466 . . . . 1.16 110.556 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -73.77 -2.05 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.98 110.792 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.43 -4.24 58.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 0.65 110.12 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 101' ' ' PRO . 63.7 m -111.34 145.61 38.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.661 -0.7 . . . . 0.49 109.405 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.58 -27.88 19.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 3.49 110.923 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.4 127.43 31.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.392 -0.367 . . . . 2.0 110.313 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.0 t80 -124.51 122.54 37.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.601 -0.518 . . . . 0.36 109.601 178.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 82.0 m -110.52 131.26 55.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.165 -0.47 . . . . 0.32 111.247 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.02 122.89 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.111 -0.495 . . . . 0.23 109.72 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -108.62 124.47 50.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.162 -0.472 . . . . 0.28 110.608 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.07 123.03 45.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.158 -0.474 . . . . 0.2 110.298 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -110.4 109.93 20.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.651 -0.5 . . . . 2.62 109.651 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.45 91.64 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 0.29 109.511 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 13' ' ' ASN . 20.0 p -76.09 119.95 20.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.088 -0.96 . . . . 1.6 109.413 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.01 -175.02 34.61 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.711 -0.757 . . . . 1.16 111.848 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -138.54 25.93 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 1.53 111.686 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.07 146.54 32.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 2.08 111.013 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.13 149.0 51.38 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 123.115 2.544 . . . . 0.49 112.676 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.38 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.535 -0.757 . . . . 1.82 111.839 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.51 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 0.59 111.645 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -129.22 -34.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.463 -0.335 . . . . 1.51 110.914 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 42.8 tpp -118.24 48.78 1.35 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.792 0.806 . . . . 1.13 109.744 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.15 151.84 21.3 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 110.433 -1.067 . . . . 0.14 110.433 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 87.8 m-70 -132.69 148.69 52.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.587 -0.445 . . . . 0.15 110.48 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.716 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 21.0 t30 -148.17 135.63 20.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.482 -0.781 . . . . 1.48 109.19 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 tt -107.19 112.99 26.14 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.584 -0.525 . . . . 0.22 109.584 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 11.6 p -110.44 145.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 1.46 110.301 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.424 ' O ' HG12 ' A' ' 83' ' ' VAL . 28.6 mm -112.29 119.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.51 109.669 177.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.75 169.85 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.135 -0.484 . . . . 0.32 110.231 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -69.43 145.9 52.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.704 -0.225 . . . . 1.46 110.936 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.51 -54.02 38.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.869 0.366 . . . . 0.77 111.283 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.34 -14.49 62.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 2.89 111.919 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -99.89 -8.07 24.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.294 0.569 . . . . 2.15 110.117 -174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mmt -59.07 -32.65 69.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.45 -0.795 . . . . 0.78 111.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.14 -43.11 87.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 2.27 110.774 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.08 -30.82 67.17 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.744 -0.741 . . . . 0.66 111.837 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.12 -46.31 72.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.456 0.17 . . . . 0.55 110.668 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 67' ' ' VAL . 29.6 m-85 -66.76 -44.07 82.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.726 -0.215 . . . . 0.53 111.013 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.34 -54.6 44.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.764 0.316 . . . . 3.03 111.326 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.19 -16.38 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.926 0.393 . . . . 2.28 110.834 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.27 -42.73 41.47 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.718 -0.673 . . . . 0.5 112.279 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 63' ' ' PHE . 58.9 t -58.53 -29.18 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 1.04 110.922 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.89 8.22 80.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.809 -0.71 . . . . 0.53 112.703 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -124.16 53.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.043 0.449 . . . . 0.38 110.718 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -37.91 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.62 . . . . 0.62 112.001 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.05 -18.02 59.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 2.44 111.404 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 75' ' ' VAL . 2.9 m -112.48 49.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.117 0.484 . . . . 1.46 110.538 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' HA ' ' HG ' ' A' ' 88' ' ' LEU . 34.4 m-20 59.52 19.97 8.43 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.506 -0.77 . . . . 1.66 112.205 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.504 ' CD2' HD11 ' A' ' 88' ' ' LEU . 62.6 m-85 59.89 39.45 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.68 111.195 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 72' ' ' THR . 28.0 m . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 109.384 -0.598 . . . . 1.38 109.384 172.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 121.207 0.527 . . . . 2.33 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -102.45 120.08 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.78 110.301 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 53' ' ' ILE . 10.7 p -91.33 -26.12 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.939 0.4 . . . . 0.91 110.199 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.45 148.07 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.36 110.459 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -156.44 151.19 25.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 1.96 110.659 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.519 HG23 HD23 ' A' ' 97' ' ' LEU . 38.0 p -88.57 -177.92 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.6 . . . . 0.5 109.819 173.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -95.83 151.69 19.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.905 -0.405 . . . . 2.85 109.905 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 74' ' ' TYR . 14.3 mt -61.0 108.68 0.91 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.365 -0.379 . . . . 1.24 110.23 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.1 pt -111.45 136.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 116.06 -0.518 . . . . 0.35 111.779 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.92 -172.77 49.03 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.403 -0.817 . . . . 0.79 111.842 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.27 122.87 28.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.958 -0.639 . . . . 0.81 112.839 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.74 2.22 63.16 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.8 112.277 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -105.15 165.99 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.8 0.333 . . . . 2.34 111.324 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -143.43 154.16 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 1.86 110.593 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 t -154.42 149.6 26.98 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.378 -0.601 . . . . 1.35 109.378 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -132.13 157.88 43.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.88 0.371 . . . . 1.0 111.254 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.519 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -138.32 156.11 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.26 109.568 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.1 m -131.8 132.39 43.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.704 -0.48 . . . . 1.14 109.704 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.26 155.41 48.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.006 0.431 . . . . 0.49 111.468 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.59 119.2 71.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 2.08 109.171 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.627 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 53.2 Cg_exo -53.31 -32.49 61.51 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.416 2.744 . . . . 0.53 113.895 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.07 -13.4 62.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.954 0.406 . . . . 0.62 111.308 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -85.13 0.55 51.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.463 . . . . 2.92 110.423 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 109' ' ' TYR . 10.9 mp -112.72 18.93 17.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 1.3 110.274 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.74 1.98 53.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.934 -0.576 . . . . 1.08 111.423 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.474 ' HB2' ' OH ' ' A' ' 109' ' ' TYR . 4.0 m-20 -86.79 19.38 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.796 0.295 . . . . 2.04 111.796 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.38 -149.23 18.58 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.145 -1.026 . . . . 0.74 113.152 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.72 121.39 29.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.988 0.423 . . . . 2.02 110.571 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 104' ' ' LEU . 7.8 m-85 -106.52 153.36 22.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.787 -0.642 . . . . 0.4 110.669 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -130.22 156.55 44.42 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.756 -0.656 . . . . 1.53 109.489 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 47.8 p90 -116.44 135.46 53.82 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.674 -1.232 . . . . 0.23 107.674 170.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.72 160.46 43.83 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.438 -0.505 . . . . 0.19 111.48 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.716 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 17.4 t -94.44 116.23 28.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.921 -1.036 . . . . 0.16 108.666 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.0 p -84.13 9.56 12.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.031 0.382 . . . . 0.24 112.031 -173.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -68.42 131.14 91.82 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.082 -0.711 . . . . 0.26 109.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.48 114.67 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.977 2.451 . . . . 0.49 112.9 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.89 -20.83 46.21 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.5 111.824 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -83.97 -40.32 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.554 0.216 . . . . 0.38 110.956 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.87 -21.0 58.07 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-N 116.22 -0.445 . . . . 0.61 113.949 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -26.44 67.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.83 111.264 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 tp -122.29 -39.78 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 2.13 111.124 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 5.8 mtm -80.16 77.88 6.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.492 . . . . 0.65 111.342 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -152.35 145.46 24.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.516 -0.765 . . . . 1.13 109.92 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.51 -171.94 15.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.043 -0.598 . . . . 0.31 111.67 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -105.27 130.04 53.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.796 0.332 . . . . 1.48 111.203 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 4.7 p -121.76 116.81 50.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.814 -0.81 . . . . 1.11 108.814 173.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.3 m -121.16 138.51 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.812 -0.631 . . . . 0.97 111.667 -170.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.39 118.82 20.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.634 -0.712 . . . . 1.44 109.172 173.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 30.1 m -119.49 163.25 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.14 0.495 . . . . 0.6 111.047 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.704 -0.68 . . . . 2.25 110.117 178.627 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 62.8 m . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.311 0.577 . . . . 0.62 109.856 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.25 143.92 24.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.605 -0.725 . . . . 0.32 110.2 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.13 149.35 42.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.175 -0.466 . . . . 0.27 110.427 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.9 m -120.74 138.36 54.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.316 -0.402 . . . . 0.84 110.297 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.67 135.78 56.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.956 -0.566 . . . . 0.87 110.142 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 34.6 tt0 -104.42 141.79 35.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.962 -0.563 . . . . 1.98 110.604 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -125.1 136.32 53.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.759 -0.655 . . . . 0.97 109.554 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -117.3 -172.78 2.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.45 -0.341 . . . . 1.14 110.786 -174.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -84.9 9.37 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.309 . . . . 2.26 111.308 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -102.9 12.48 36.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.885 0.374 . . . . 1.59 110.426 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.3 mtt 61.59 53.87 3.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.249 -0.887 . . . . 1.92 111.735 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -152.63 157.08 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.939 0.399 . . . . 1.86 111.098 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 57.6 m-85 -101.53 154.3 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.031 -1.1 . . . . 0.44 108.031 169.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.521 ' ND2' ' HB3' ' A' ' 11' ' ' GLU . 93.8 m-20 -84.07 18.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.728 -0.389 . . . . 2.31 111.483 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -166.56 141.85 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.151 -0.477 . . . . 1.12 109.886 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -110.83 8.41 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.045 0.45 . . . . 2.18 110.244 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -134.07 128.23 33.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.834 -0.621 . . . . 2.06 111.256 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 80.7 mt -131.43 126.9 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.655 -0.702 . . . . 0.32 109.201 172.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -108.11 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.034 0.445 . . . . 1.46 110.838 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.2 t -97.77 119.26 45.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.941 -0.572 . . . . 0.31 109.67 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -85.05 117.9 24.3 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.183 -0.462 . . . . 1.16 110.547 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -69.55 -17.59 63.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.98 110.834 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 1.53 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.891 -0.595 . . . . 0.65 110.882 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 71.8 m -105.71 139.02 40.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.921 -0.582 . . . . 0.49 109.571 177.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.83 -45.61 88.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.99 -0.55 . . . . 3.49 111.007 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.41 149.48 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 2.0 109.899 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 43.0 t80 -122.02 128.57 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.674 0.273 . . . . 0.36 110.52 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 90.8 m -116.11 133.04 56.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.04 0.447 . . . . 0.32 111.309 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -117.28 130.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.993 -0.549 . . . . 0.23 109.994 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.1 m -112.96 126.12 55.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 0.28 110.866 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.6 tp -103.69 123.79 47.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.463 . . . . 0.2 109.929 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -111.84 113.44 25.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.27 -0.423 . . . . 2.62 110.537 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.59 97.19 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.163 0.506 . . . . 0.29 109.793 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -80.8 -1.37 42.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.31 -0.859 . . . . 1.6 111.446 -175.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.516 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -91.15 124.73 7.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.682 -0.77 . . . . 1.16 112.073 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 m -81.86 66.83 7.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.419 0.628 . . . . 1.53 110.763 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -135.91 140.32 33.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.528 -0.76 . . . . 2.08 109.62 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.86 150.4 88.47 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.016 2.478 . . . . 0.49 112.152 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -67.74 -18.95 65.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.82 112.108 -169.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.91 -11.82 56.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.822 0.344 . . . . 0.59 111.297 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -110.91 -49.1 3.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 1.51 110.498 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.9 tpp -137.5 62.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 1.13 109.543 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.04 153.73 22.05 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.368 -0.833 . . . . 0.14 111.184 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.446 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 90.1 m-70 -135.38 148.15 49.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.777 0.323 . . . . 0.15 110.53 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.4 p-10 -146.22 155.6 42.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 1.48 109.529 173.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 9.9 tt -116.46 111.16 19.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.681 -0.488 . . . . 0.22 109.681 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 61.3 t -110.99 135.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.56 -0.745 . . . . 1.46 110.698 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.68 122.95 71.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 116.358 -0.383 . . . . 0.51 110.871 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.504 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -146.07 167.06 24.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.824 -0.625 . . . . 0.32 110.33 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.77 142.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.061 0.458 . . . . 1.46 110.695 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.17 -26.12 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.302 -0.863 . . . . 0.77 112.415 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.5 -17.05 49.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.855 0.317 . . . . 2.89 111.855 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.446 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 16.8 m-20 -123.96 11.5 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.797 0.295 . . . . 2.15 111.797 -177.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.504 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 13.6 tpt -66.6 -37.35 84.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.381 -0.372 . . . . 0.78 111.042 -175.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 27.8 t70 -63.2 -41.0 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 2.27 110.847 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.98 -31.01 79.52 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.66 111.786 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 58' ' ' ASP . 74.4 t -62.61 -41.89 93.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.646 0.26 . . . . 0.55 110.701 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -64.39 -35.11 79.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.53 110.608 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 73.8 mmtt -63.97 -38.2 90.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 3.03 110.48 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -75.31 -36.72 61.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 2.28 110.111 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.63 65.75 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.349 -0.841 . . . . 0.5 113.257 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.27 -17.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.259 0.552 . . . . 1.04 110.869 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.02 6.9 54.39 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.811 -0.709 . . . . 0.53 112.916 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.4 58.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.38 111.667 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -13.84 62.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 0.62 110.778 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.53 -45.74 73.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.336 -0.847 . . . . 2.44 111.79 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.1 p -102.22 -89.92 0.36 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.051 0.453 . . . . 1.46 111.491 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -143.65 35.09 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 1.66 109.193 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.485 ' CD2' HD11 ' A' ' 88' ' ' LEU . 71.9 m-85 62.23 46.53 6.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.456 -0.793 . . . . 0.68 110.134 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 114.471 -1.24 . . . . 1.38 108.709 175.891 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 98.6 mtt180 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 121.353 0.597 . . . . 2.33 110.039 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.89 112.32 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.347 -0.842 . . . . 0.78 109.431 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.14 -39.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.171 -0.468 . . . . 0.91 110.584 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.37 152.94 31.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.956 -0.566 . . . . 0.36 110.501 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 10.8 p80 -163.18 138.43 6.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.492 -0.322 . . . . 1.96 110.748 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.518 HG23 HD23 ' A' ' 97' ' ' LEU . 68.6 p -85.97 159.06 19.73 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.756 -0.461 . . . . 0.5 109.756 174.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -81.73 153.3 26.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.23 -0.441 . . . . 2.85 109.842 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 74' ' ' TYR . 26.5 mt -59.66 129.74 43.4 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.073 -0.512 . . . . 1.24 110.895 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 23.0 pt -127.61 137.29 58.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.911 -0.586 . . . . 0.35 111.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.9 -147.98 20.54 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.48 -0.782 . . . . 0.79 112.279 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -67.28 123.46 20.69 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.131 -0.557 . . . . 0.81 112.914 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.88 20.88 77.47 Favored Glycine 0 CA--C 1.51 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.8 112.353 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 19.5 mm-40 -115.71 153.02 32.11 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.736 -0.468 . . . . 2.34 109.736 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.53 147.73 39.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.971 0.415 . . . . 1.86 110.253 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 p -133.85 150.74 51.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.087 -0.506 . . . . 1.35 109.853 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.4 p -141.58 146.46 36.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.855 0.359 . . . . 1.0 110.684 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.518 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -129.43 153.16 48.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.051 -0.522 . . . . 0.26 109.758 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.6 m -126.54 117.62 23.2 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.288 -0.634 . . . . 1.14 109.288 174.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.26 160.4 19.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.04 -0.527 . . . . 0.49 111.182 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.431 ' OD2' ' HB3' ' A' ' 102' ' ' ALA . 16.7 t70 -91.92 115.74 65.17 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.269 -0.878 . . . . 2.08 110.405 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -56.79 -24.96 58.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.977 2.451 . . . . 0.53 113.433 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.431 ' HB3' ' OD2' ' A' ' 100' ' ' ASP . . . -71.91 -24.84 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.604 0.24 . . . . 0.62 110.931 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -24.95 62.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.11 0.481 . . . . 2.92 110.156 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.518 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 54.1 mt -86.8 -0.06 55.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.492 . . . . 1.3 110.648 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.35 40.78 0.9 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.835 -0.62 . . . . 1.08 110.692 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -137.05 24.94 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 2.04 110.479 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.08 -157.36 24.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.909 -1.138 . . . . 0.74 113.591 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.07 130.18 53.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 2.02 110.01 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.518 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 36.3 m-85 -107.47 154.51 21.25 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.614 -0.721 . . . . 0.4 111.622 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -119.61 151.68 38.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.648 -0.706 . . . . 1.53 109.763 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.598 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 33.8 p90 -123.44 142.66 50.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.958 -0.756 . . . . 0.23 108.958 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.76 169.74 20.87 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.951 0.405 . . . . 0.19 111.2 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 31.3 t -98.99 126.26 44.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.37 -0.974 . . . . 0.16 108.37 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 p -100.53 12.37 37.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 0.24 111.728 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.41 137.86 97.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.035 -0.728 . . . . 0.26 109.035 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.87 114.38 1.76 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.819 2.346 . . . . 0.49 113.001 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.94 -14.57 62.64 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.496 -0.775 . . . . 0.5 111.896 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -92.42 -27.54 17.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 0.38 111.366 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.66 -15.71 54.43 Favored Glycine 0 C--N 1.33 0.236 0 CA-C-N 116.116 -0.493 . . . . 0.61 113.505 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.72 -20.45 27.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.532 -0.393 . . . . 0.83 111.422 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -109.97 -52.3 2.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.954 0.353 . . . . 2.13 111.954 -172.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.55 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 5.0 mtm -85.38 92.6 8.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.792 0.33 . . . . 0.65 111.056 -175.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -140.34 145.5 37.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.955 -0.566 . . . . 1.13 110.481 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -158.87 179.95 34.14 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.397 -0.681 . . . . 0.31 111.397 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -114.98 139.29 49.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.995 0.398 . . . . 1.48 110.797 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 2.5 p -118.22 113.96 43.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.624 0.726 . . . . 1.11 109.257 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.2 m -109.02 136.29 48.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.467 -0.788 . . . . 0.97 111.244 -170.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.9 tp -82.07 125.99 31.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.291 -0.633 . . . . 1.44 109.291 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 35.4 m -123.57 176.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.507 -0.315 . . . . 0.6 110.544 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 2.25 111.365 -179.4 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.095 -0.335 . . . . 3.08 110.095 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.407 HG21 ' C ' ' A' ' 130' ' ' ASP . 54.6 m -137.1 -36.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.937 0.398 . . . . 3.52 111.457 -177.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.39 19.84 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 2.32 111.171 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.61 43.66 0.91 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.55 -0.833 . . . . 1.56 112.257 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -161.67 92.98 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.548 0.69 . . . . 2.26 111.225 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.521 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 76.5 m -104.09 3.52 33.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.714 -0.675 . . . . 0.62 110.06 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.05 155.87 40.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.5 -0.773 . . . . 0.32 110.435 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.84 156.43 45.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.903 -0.589 . . . . 0.27 110.028 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m -126.46 123.58 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.004 0.43 . . . . 0.84 110.724 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.03 135.61 49.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.8 -0.636 . . . . 0.87 109.901 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -110.3 126.82 54.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.429 -0.35 . . . . 1.98 110.447 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.518 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 36.1 p -123.1 139.14 54.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 0.97 109.935 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.4 ' OD1' ' HG2' ' A' ' 17' ' ' GLN . 34.7 p30 -123.41 177.85 5.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.185 -0.302 . . . . 1.14 110.185 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.02 27.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.285 0.564 . . . . 2.26 110.838 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -106.42 9.47 31.73 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.409 -0.96 . . . . 1.59 108.409 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.8 mpp? 64.7 64.39 0.67 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.157 -1.383 . . . . 1.92 111.863 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 3.3 pt20 -159.97 155.51 25.59 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.042 0.448 . . . . 1.86 111.725 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 29.2 m-85 -108.45 151.87 25.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.211 -0.904 . . . . 0.44 108.665 169.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -81.58 2.97 26.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.782 0.325 . . . . 2.31 111.286 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -157.23 142.79 17.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.939 -0.393 . . . . 1.12 109.939 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -114.49 4.81 15.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.462 0.649 . . . . 2.18 109.546 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -138.22 125.11 21.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.386 -0.825 . . . . 2.06 110.425 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 87.2 mt -125.6 120.96 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.216 0.531 . . . . 0.32 109.783 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.45 114.41 28.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.754 -0.657 . . . . 1.46 110.356 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.82 125.13 46.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.441 -0.8 . . . . 0.31 110.226 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -81.31 128.63 34.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.758 -0.656 . . . . 1.16 110.805 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -75.97 -1.81 27.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.98 110.539 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.27 -5.71 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 0.65 110.266 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.521 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 60.4 m -104.11 139.74 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.588 -0.733 . . . . 0.49 110.161 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -69.85 -46.15 66.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.507 -0.553 . . . . 3.49 109.507 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.47 149.9 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.371 -0.831 . . . . 2.0 109.122 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -120.68 128.19 52.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.965 -0.383 . . . . 0.36 109.965 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 38.2 m -103.26 133.0 49.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.267 -0.424 . . . . 0.32 110.746 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -121.17 120.67 62.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 109.869 -0.419 . . . . 0.23 109.869 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -106.61 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.012 -0.54 . . . . 0.28 110.313 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -103.76 128.77 51.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.215 -0.448 . . . . 0.2 109.83 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -121.78 115.37 22.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.8 -0.444 . . . . 2.62 109.8 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.3 t60 -88.03 92.29 9.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.224 0.535 . . . . 0.29 109.893 -178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.4 p -85.06 77.18 10.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 1.6 110.864 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.26 -162.58 10.96 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.614 -0.721 . . . . 1.16 111.697 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -127.01 1.67 6.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 1.53 111.366 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -95.9 134.65 23.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.967 0.413 . . . . 2.08 111.545 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.95 159.17 51.03 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.328 2.686 . . . . 0.49 111.996 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -61.89 -24.55 67.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.367 -0.833 . . . . 1.82 112.867 -169.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.68 43.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.845 0.355 . . . . 0.59 111.598 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -102.56 -45.04 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 1.51 110.038 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.5 tpp -144.93 73.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 1.13 109.436 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.66 150.33 19.82 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.357 -0.838 . . . . 0.14 111.784 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.457 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 81.3 m-70 -132.71 149.03 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.816 -0.354 . . . . 0.15 110.606 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -141.54 166.48 24.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.969 -0.752 . . . . 1.48 108.969 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -126.48 110.61 13.48 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.382 -0.599 . . . . 0.22 109.382 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 64.5 t -111.87 130.05 66.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.454 -0.794 . . . . 1.46 110.478 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -109.57 122.21 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 0.51 110.105 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.511 ' CB ' HG21 ' A' ' 62' ' ' VAL . . . -147.26 165.57 29.69 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.723 -0.671 . . . . 0.32 110.974 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -69.29 126.15 28.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.256 -0.884 . . . . 1.46 109.279 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 59' ' ' MET . . . -56.9 -36.48 70.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.523 -0.762 . . . . 0.77 112.267 -171.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.98 -25.01 68.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 2.89 110.911 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.34 4.75 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 2.15 110.864 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 8.4 tpt -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.78 111.152 -172.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.16 -44.66 96.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 2.27 110.927 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.2 -28.09 73.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.859 -0.686 . . . . 0.66 111.627 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.511 HG21 ' CB ' ' A' ' 54' ' ' ALA . 75.7 t -67.99 -49.91 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.256 . . . . 0.55 110.659 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 67' ' ' VAL . 57.0 m-85 -61.89 -43.06 99.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 0.53 110.555 176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.95 -48.03 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.76 -0.654 . . . . 3.03 110.833 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.03 -24.96 60.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 2.28 110.437 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.36 90.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.987 -0.625 . . . . 0.5 112.205 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 63' ' ' PHE . 76.5 t -63.54 -33.9 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.046 0.451 . . . . 1.04 110.809 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.97 -12.77 83.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.803 -0.713 . . . . 0.53 112.39 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.464 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -106.85 47.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 0.38 110.617 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.12 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.658 . . . . 0.62 111.643 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -70.42 -22.2 62.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 2.44 111.462 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.464 ' OG1' ' HB1' ' A' ' 69' ' ' ALA . 21.7 p -111.82 49.18 0.91 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.73 0.3 . . . . 1.46 111.395 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.93 26.9 16.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.914 -0.585 . . . . 1.66 111.835 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 62.45 25.93 15.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.602 -0.726 . . . . 0.68 111.67 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.05 130.22 71.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.996 -0.742 . . . . 1.38 108.996 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.566 ' CD ' ' HB2' ' A' ' 78' ' ' ASP . 14.2 tmtt? -95.52 122.5 59.04 Favored Pre-proline 0 C--N 1.318 -0.799 0 N-CA-C 110.036 -0.357 . . . . 2.55 110.036 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.75 98.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.784 2.323 . . . . 1.92 111.253 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.566 ' HB2' ' CD ' ' A' ' 76' ' ' LYS . 12.7 t70 -161.59 -60.85 0.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.911 -0.586 . . . . 3.52 109.473 -172.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.9 47.17 22.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.641 -0.709 . . . . 3.58 112.147 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.58 -53.15 2.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.445 . . . . 1.02 110.186 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -87.23 -23.18 24.82 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.502 -0.925 . . . . 2.33 108.502 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.8 132.68 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.456 -1.247 . . . . 0.78 109.523 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 81.9 t -88.44 -40.28 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.478 -0.328 . . . . 0.91 110.52 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.6 153.41 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.188 -0.46 . . . . 0.36 110.74 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -154.92 138.07 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.323 -0.399 . . . . 1.96 111.098 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.56 HG23 HD23 ' A' ' 97' ' ' LEU . 72.1 p -92.72 178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.412 -0.588 . . . . 0.5 109.412 173.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -97.18 173.79 7.06 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.537 -0.542 . . . . 2.85 109.537 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -77.37 127.04 31.88 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.342 -0.614 . . . . 1.24 109.342 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.15 139.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.037 0.446 . . . . 0.35 111.455 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.11 -168.87 39.25 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.79 112.198 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.99 103.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.236 -0.506 . . . . 0.81 112.856 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.98 -23.1 10.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.001 -0.619 . . . . 0.8 111.95 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -82.09 166.09 20.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.971 0.415 . . . . 2.34 110.708 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.93 154.95 43.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 1.86 110.339 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -144.27 159.65 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.913 -0.773 . . . . 1.35 108.913 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.0 p -143.75 160.5 40.62 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.796 0.331 . . . . 1.0 110.941 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.56 HD23 HG23 ' A' ' 86' ' ' THR . 4.1 pp -142.47 161.4 38.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 0.26 110.235 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.32 126.45 35.35 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.962 -0.563 . . . . 1.14 110.052 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 3.6 pp -126.07 156.46 39.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.939 0.399 . . . . 0.49 111.108 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.24 108.86 29.39 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.337 -0.847 . . . . 2.08 109.999 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 99' ' ' LEU . 45.4 Cg_exo -54.45 -35.0 83.78 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.298 2.665 . . . . 0.53 113.19 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.12 -11.27 60.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.813 0.34 . . . . 0.62 111.481 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -89.89 -7.3 54.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.311 0.577 . . . . 2.92 110.279 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 58.9 mt -88.28 4.72 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 1.3 110.847 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.53 2.96 42.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.295 -0.411 . . . . 1.08 111.405 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.5 -22.15 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.453 -0.339 . . . . 2.04 111.74 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 159.63 -140.9 7.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.055 -1.069 . . . . 0.74 112.779 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -91.96 122.78 34.8 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.02 110.439 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.036 -0.529 . . . . 0.4 111.146 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -130.22 153.69 48.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.059 -0.519 . . . . 1.53 110.259 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 43.5 p90 -115.75 144.04 44.53 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.233 -1.025 . . . . 0.23 108.233 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.82 163.28 29.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.08 0.467 . . . . 0.19 111.827 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 27.7 t -93.5 120.21 33.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.863 -1.062 . . . . 0.16 108.652 173.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.7 p -89.2 17.84 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 0.24 111.72 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -75.29 123.5 88.74 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.751 -0.833 . . . . 0.26 108.751 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.28 116.78 3.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.748 2.299 . . . . 0.49 112.46 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.4 -11.95 51.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.085 -0.579 . . . . 0.5 112.199 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -98.95 -39.12 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.67 0.248 . . . . 0.38 111.67 -178.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.63 -23.96 59.15 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.399 0.52 . . . . 0.61 114.399 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.14 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.991 0.396 . . . . 0.83 111.51 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -121.03 -36.59 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 2.13 110.436 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.452 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 30.9 mtt -86.82 72.52 10.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 0.65 110.848 -174.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -154.03 155.57 35.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 1.13 109.65 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -151.78 -150.88 5.46 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.346 -0.93 . . . . 0.31 112.432 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -118.73 134.85 54.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.308 -0.256 . . . . 1.48 110.308 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -127.28 120.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.45 0.643 . . . . 1.11 109.304 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -125.44 141.0 52.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.705 -0.68 . . . . 0.97 111.577 -169.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.86 123.96 29.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.508 -0.553 . . . . 1.44 109.508 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.09 162.51 29.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.251 0.548 . . . . 0.6 111.335 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.407 ' C ' HG21 ' A' ' 2' ' ' THR . 9.1 t70 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.343 -0.844 . . . . 2.25 109.78 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.586 0.231 . . . . 3.08 110.393 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -83.43 86.72 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.948 0.404 . . . . 3.52 110.463 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.97 -3.13 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.04 -0.527 . . . . 2.32 111.374 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.97 53.93 4.91 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.721 -0.752 . . . . 1.56 112.323 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -139.37 116.86 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.574 0.225 . . . . 2.26 110.718 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 85.1 m -107.98 -10.91 15.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.358 0.599 . . . . 0.62 109.97 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.34 158.95 44.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.583 -0.735 . . . . 0.32 110.199 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.49 142.8 26.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.088 -0.506 . . . . 0.27 110.378 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t -112.85 126.22 55.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.195 0.522 . . . . 0.84 110.01 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.24 121.79 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.629 -0.714 . . . . 0.87 109.946 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -90.31 143.23 26.95 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.539 -0.541 . . . . 1.98 109.539 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 p -128.62 135.86 49.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.408 -0.59 . . . . 0.97 109.408 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -124.27 -166.21 1.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.912 0.387 . . . . 1.14 111.685 -171.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.53 -21.89 55.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 2.26 111.472 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.39 15.48 0.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.576 0.584 . . . . 1.59 112.576 -171.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 mtt 58.31 51.45 8.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.238 -0.437 . . . . 1.92 111.158 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -148.26 152.77 37.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.364 0.602 . . . . 1.86 111.96 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -93.18 151.82 19.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.766 -1.106 . . . . 0.44 108.17 164.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 7.59 14.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.762 0.315 . . . . 2.31 110.756 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 p -138.51 134.0 33.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.059 -0.518 . . . . 1.12 111.317 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -105.88 -11.78 16.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 2.18 109.872 169.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -141.05 139.23 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.855 . . . . 2.06 109.572 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.1 mt -122.56 127.15 74.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.451 -0.574 . . . . 0.32 109.451 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -97.79 106.03 18.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.144 0.497 . . . . 1.46 110.975 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.1 t -96.8 119.01 44.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.568 -0.742 . . . . 0.31 109.883 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -79.81 125.92 30.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.254 -0.43 . . . . 1.16 110.743 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -79.93 1.79 25.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.98 110.556 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.16 -6.63 59.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.65 110.143 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.611 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 61.6 m -104.74 154.36 20.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.593 -0.73 . . . . 0.49 109.781 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -89.34 -31.45 17.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.092 0.472 . . . . 3.49 110.11 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.03 131.26 34.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.939 -0.573 . . . . 2.0 109.82 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -111.77 127.67 55.87 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.239 -0.652 . . . . 0.36 109.239 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 26.3 m -106.9 124.52 49.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.39 -0.368 . . . . 0.32 111.143 -175.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 96' ' ' SER . 67.6 mt -111.91 122.08 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.45 -0.341 . . . . 0.23 110.103 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 m -108.58 127.53 54.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.051 -0.522 . . . . 0.28 110.391 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.9 tp -103.3 128.96 50.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.149 -0.478 . . . . 0.2 109.889 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -117.81 108.26 15.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.37 -0.377 . . . . 2.62 110.211 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.75 92.48 5.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.29 109.886 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.2 p -74.89 -36.29 62.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.501 -0.772 . . . . 1.6 111.967 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.3 127.2 38.72 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.84 -0.618 . . . . 1.16 112.799 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 p -75.08 59.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.143 0.497 . . . . 1.53 111.698 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' MET . 19.6 mm-40 -121.95 132.07 24.31 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.916 -0.584 . . . . 2.08 110.241 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.69 145.66 91.47 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.699 2.266 . . . . 0.49 111.68 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -67.77 -19.47 65.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.989 -0.55 . . . . 1.82 112.048 -171.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.31 59.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 0.59 111.049 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -112.57 -51.77 2.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.314 -0.403 . . . . 1.51 110.813 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 45.0 tpp -134.18 64.92 1.59 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.298 0.571 . . . . 1.13 109.768 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.8 152.99 22.79 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 110.65 -0.98 . . . . 0.14 110.65 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 83.7 m-70 -133.2 146.61 51.66 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.59 -0.444 . . . . 0.15 110.387 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.1 p-10 -144.53 152.88 41.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.111 -0.7 . . . . 1.48 109.111 173.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 tt -115.57 112.06 21.62 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.564 -0.532 . . . . 0.22 109.564 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.624 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 5.9 m -111.46 146.29 16.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.604 -0.726 . . . . 1.46 110.307 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.3 mt -119.59 116.69 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.588 -0.523 . . . . 0.51 109.588 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -140.92 167.79 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.462 -0.79 . . . . 0.32 110.592 -174.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -74.54 131.75 41.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.711 -0.677 . . . . 1.46 110.098 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.92 61.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.749 . . . . 0.77 112.123 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -26.81 64.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 2.89 111.521 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 62' ' ' VAL . 1.3 m-20 -119.45 17.91 12.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.51 -0.314 . . . . 2.15 110.739 -175.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 9.0 tpt -66.17 -41.25 90.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.78 111.435 -172.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.53 -36.67 84.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 2.27 110.468 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.19 77.17 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.62 -0.718 . . . . 0.66 111.868 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 58' ' ' ASP . 96.7 t -64.32 -43.97 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.828 0.347 . . . . 0.55 110.524 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -69.75 -35.95 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.53 110.292 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.16 -47.0 78.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 3.03 110.774 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.19 -17.85 56.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 2.28 111.076 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.62 -33.98 67.19 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.108 -0.568 . . . . 0.5 112.658 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.96 -32.26 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.108 0.48 . . . . 1.04 110.884 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -88.08 10.44 70.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 0.53 112.726 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -123.51 39.01 4.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 0.38 110.835 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 0.62 111.852 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -77.81 -20.42 53.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.286 -0.415 . . . . 2.44 111.577 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 m -94.87 -76.3 0.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.95 -0.3 . . . . 1.46 110.79 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -168.18 26.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.129 0.49 . . . . 1.66 109.984 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 62.95 26.91 15.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.296 -0.865 . . . . 0.68 110.934 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.5 t -130.39 128.95 64.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.133 -0.939 . . . . 1.38 108.624 171.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -67.7 120.67 75.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.469 -0.567 . . . . 2.55 109.469 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.52 22.98 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.551 2.834 . . . . 1.92 114.211 -172.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.02 -30.2 39.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.09 -0.707 . . . . 3.52 109.09 170.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 49.54 56.69 7.45 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.674 0.608 . . . . 3.58 111.138 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.46 -48.61 3.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.534 -0.757 . . . . 1.02 110.08 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -80.21 -32.23 38.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.349 0.595 . . . . 2.33 110.047 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.53 129.97 44.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.335 -0.848 . . . . 0.78 110.287 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.38 -43.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.912 -0.585 . . . . 0.91 110.191 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.03 149.26 31.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.875 -0.602 . . . . 0.36 110.168 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -157.57 137.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.755 0.312 . . . . 1.96 110.985 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 HD23 ' A' ' 97' ' ' LEU . 71.5 p -83.89 158.94 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.794 -0.639 . . . . 0.5 109.911 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -66.08 149.5 50.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.099 -0.334 . . . . 2.85 110.099 174.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.62 103.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.9 -0.778 . . . . 1.24 108.9 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.9 pt -101.73 145.98 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.328 0.585 . . . . 0.35 112.152 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.2 -157.59 31.65 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.054 -0.975 . . . . 0.79 111.942 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.22 125.02 8.59 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.028 -0.606 . . . . 0.81 113.02 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.18 0.45 77.16 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.031 -0.604 . . . . 0.8 112.492 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.9 167.19 10.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.696 0.284 . . . . 2.34 110.424 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -149.32 157.56 43.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.078 -0.51 . . . . 1.86 110.567 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.5 t -151.88 159.59 43.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.494 -0.558 . . . . 1.35 109.494 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 36.2 m -137.71 155.59 48.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.677 0.275 . . . . 1.0 111.121 -177.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.566 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -134.15 159.41 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.167 -0.469 . . . . 0.26 109.997 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -130.6 141.11 50.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.306 -0.406 . . . . 1.14 110.32 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 pp -144.94 161.64 38.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.42 -0.355 . . . . 0.49 110.847 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.58 121.44 64.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 2.08 109.976 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.474 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 31.9 Cg_exo -58.41 -25.97 75.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.054 2.503 . . . . 0.53 113.619 -177.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.54 61.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.086 0.469 . . . . 0.62 110.795 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -78.55 -21.18 49.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 2.92 110.173 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 48.7 mt -85.56 -5.82 59.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.541 . . . . 1.3 110.827 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.58 2.38 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 1.08 110.76 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -98.9 -10.22 23.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 2.04 111.165 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.32 -173.55 30.1 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 119.935 -1.126 . . . . 0.74 113.237 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -109.76 111.36 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.888 -0.782 . . . . 2.02 108.888 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.589 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 79.4 m-85 -105.28 146.63 29.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.665 0.745 . . . . 0.4 112.273 -169.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.77 152.89 34.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.754 -1.112 . . . . 1.53 109.456 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.624 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.6 p90 -115.81 139.37 50.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.385 -0.969 . . . . 0.23 108.385 170.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.36 168.63 25.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.147 0.499 . . . . 0.19 111.832 -174.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 20.1 t -100.11 123.26 44.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.794 -1.094 . . . . 0.16 108.257 173.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.0 p -95.56 13.21 26.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.913 0.387 . . . . 0.24 111.552 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.59 134.28 95.96 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.083 -0.71 . . . . 0.26 109.083 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.98 110.48 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.793 2.329 . . . . 0.49 112.642 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.43 -8.76 52.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.779 -0.724 . . . . 0.5 112.316 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -103.07 -20.03 14.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.696 -0.297 . . . . 0.38 111.239 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.09 95.6 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.665 0.626 . . . . 0.61 114.665 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -12.41 56.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.295 0.547 . . . . 0.83 111.204 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 tp -105.58 -48.77 3.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.011 0.434 . . . . 2.13 111.131 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 36.3 mtt -93.64 81.71 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.239 -0.437 . . . . 0.65 110.416 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -151.15 158.19 43.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.722 -0.672 . . . . 1.13 110.834 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.14 -168.99 23.79 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.252 -0.885 . . . . 0.31 110.9 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.84 141.37 38.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.305 0.553 . . . . 1.48 111.624 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.1 108.74 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 1.11 109.459 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.3 m -95.34 112.51 24.21 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.088 -0.506 . . . . 0.97 111.327 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.7 tp -77.72 119.55 21.4 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.655 -0.868 . . . . 1.44 108.655 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.79 157.66 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.085 0.469 . . . . 0.6 111.127 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.499 -0.773 . . . . 2.25 110.355 178.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.936 0.398 . . . . 3.08 110.719 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -92.68 -49.57 6.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.472 -0.331 . . . . 3.52 111.573 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.96 3.81 7.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 2.32 111.26 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.05 44.23 2.97 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.807 -0.711 . . . . 1.56 112.139 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -163.34 98.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.802 -0.444 . . . . 2.26 109.802 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.8 m -105.45 16.45 25.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.026 0.441 . . . . 0.62 110.97 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -154.87 146.35 23.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 0.32 110.482 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.97 143.02 29.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.524 -0.307 . . . . 0.27 110.5 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 m -106.81 130.61 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.0 0.429 . . . . 0.84 110.628 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 64.2 t -120.46 133.58 66.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.869 -0.605 . . . . 0.87 109.38 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HG2' ' HB2' ' A' ' 37' ' ' LYS . 41.3 mt-10 -106.4 142.35 36.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.5 . . . . 1.98 110.765 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 7.9 p -122.79 137.11 55.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.168 -0.924 . . . . 0.97 108.808 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -123.22 -178.22 3.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.928 0.394 . . . . 1.14 111.227 -172.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.562 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 8.6 p-10 -76.63 2.4 14.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 2.26 111.607 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -100.92 5.75 43.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.922 -0.399 . . . . 1.59 109.922 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtm 61.87 42.9 9.87 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.392 -0.822 . . . . 1.92 111.284 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -134.22 126.25 29.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 1.86 111.424 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 25.8 m-85 -74.23 146.1 43.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.44 109.986 174.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.413 ' OD1' ' HB2' ' A' ' 11' ' ' GLU . 6.9 m-20 -58.97 -29.37 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 2.31 111.348 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -144.45 152.0 40.01 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.243 -0.435 . . . . 1.12 110.404 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -117.03 11.96 14.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.332 0.587 . . . . 2.18 110.018 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.1 t70 -143.56 129.15 19.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.55 -0.75 . . . . 2.06 110.169 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.6 mt -124.42 126.82 72.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.182 -0.463 . . . . 0.32 109.834 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -95.63 108.48 20.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.069 0.462 . . . . 1.46 110.711 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -95.78 118.8 42.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.792 -0.64 . . . . 0.31 109.699 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.622 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 16.6 t -77.07 120.23 21.87 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.949 -0.569 . . . . 1.16 110.153 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -72.31 -10.56 59.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 0.98 110.301 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.83 -10.11 58.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 0.65 110.423 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' A' ' 26' ' ' SER . 99.0 m -88.17 148.2 24.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.49 109.866 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -82.06 -27.59 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.172 -0.467 . . . . 3.49 110.438 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -155.55 149.73 25.73 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.429 -0.582 . . . . 2.0 109.429 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -127.65 125.11 39.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.889 -0.412 . . . . 0.36 109.889 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 86.9 m -109.17 130.84 55.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.211 0.529 . . . . 0.32 111.161 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.4 mt -115.92 124.5 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 0.23 110.039 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -107.2 124.15 49.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.072 -0.513 . . . . 0.28 110.469 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 29.2 tp -102.87 128.17 49.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.362 -0.381 . . . . 0.2 110.263 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 34.2 mmtp -115.66 112.74 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 2.62 109.96 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.7 94.37 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.16 0.505 . . . . 0.29 110.229 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -78.85 145.94 33.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.416 -0.811 . . . . 1.6 109.232 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.13 170.99 12.69 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.443 -0.663 . . . . 1.16 111.443 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.9 p -119.01 20.55 12.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.959 0.409 . . . . 1.53 111.865 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -97.61 127.36 37.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.468 -0.333 . . . . 2.08 110.582 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.01 165.45 32.34 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.732 2.288 . . . . 0.49 112.353 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -53.61 -42.44 67.71 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.533 0.568 . . . . 1.82 112.533 -171.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.16 -20.84 64.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.328 . . . . 0.59 111.806 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -93.8 -42.39 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 1.51 110.317 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.562 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 51.7 ttm -164.87 83.18 0.38 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.275 0.559 . . . . 1.13 110.638 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.82 156.22 21.39 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.133 -0.787 . . . . 0.14 111.133 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 84.5 m-70 -135.75 154.99 51.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.808 0.337 . . . . 0.15 110.653 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -146.27 169.07 19.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 1.48 109.243 169.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tt -123.93 109.73 13.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.0 -0.741 . . . . 0.22 109.0 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 71.5 t -114.44 130.62 68.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.367 -0.833 . . . . 1.46 110.614 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -112.44 118.6 58.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.113 -0.494 . . . . 0.51 109.818 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -142.6 165.14 28.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 0.32 111.052 -176.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -62.84 128.6 36.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.481 -0.781 . . . . 1.46 109.884 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.74 66.03 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.458 0.54 . . . . 0.77 112.458 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.76 -12.12 59.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.729 0.299 . . . . 2.89 111.167 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 12.1 m-20 -123.06 9.02 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 2.15 110.403 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.654 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 11.5 tpt -68.17 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.852 -0.613 . . . . 0.78 110.456 -173.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.4 t70 -60.33 -39.34 86.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 2.27 110.356 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.5 74.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.66 112.3 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -72.01 -35.56 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.809 0.338 . . . . 0.55 110.573 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.51 -50.06 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.53 111.249 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 11.7 ptmm? -64.18 -46.88 82.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.535 -0.302 . . . . 3.03 111.679 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.06 -14.76 58.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.9 0.381 . . . . 2.28 110.386 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.87 -30.79 72.42 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.915 -0.584 . . . . 0.5 111.932 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.9 -36.82 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.087 0.47 . . . . 1.04 110.409 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.33 4.29 73.14 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.935 -0.65 . . . . 0.53 112.355 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -112.76 34.44 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.187 0.518 . . . . 0.38 110.403 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.99 69.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.719 -0.673 . . . . 0.62 111.575 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.17 3.2 36.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 2.44 111.461 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 t -145.01 54.7 1.22 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.418 0.628 . . . . 1.46 111.183 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 66.47 20.04 10.9 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.426 -0.807 . . . . 1.66 112.899 171.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 59.67 30.25 19.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.0 0.428 . . . . 0.68 111.489 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 m -124.13 123.96 67.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.096 -0.502 . . . . 1.38 109.924 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 78' ' ' ASP . 21.2 tptp -66.33 131.26 94.27 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.253 -0.647 . . . . 2.55 109.253 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.22 15.36 0.16 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.644 2.229 . . . . 1.92 113.031 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 76' ' ' LYS . 8.1 t70 -57.68 -57.44 12.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.545 -0.752 . . . . 3.52 109.5 171.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 53.56 22.93 3.22 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.534 0.568 . . . . 3.58 112.534 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.39 -41.08 4.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.613 -0.514 . . . . 1.02 109.613 175.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.472 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 38.3 mtt180 -74.96 -26.92 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.577 -0.897 . . . . 2.33 108.577 173.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.98 139.38 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.479 -1.237 . . . . 0.78 109.927 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -101.03 -41.12 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.91 110.682 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.38 146.79 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.135 -0.484 . . . . 0.36 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -154.55 140.06 17.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 1.96 110.941 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 HD23 ' A' ' 97' ' ' LEU . 71.0 p -86.28 170.21 12.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.5 110.327 177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -73.43 153.12 40.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.207 -0.664 . . . . 2.85 109.207 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 88' ' ' LEU . 2.2 tm? -73.27 110.51 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.23 -1.026 . . . . 1.24 108.23 177.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.507 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 30.5 pt -112.89 138.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.015 -0.539 . . . . 0.35 111.841 -172.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -91.56 -169.72 41.78 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.629 -0.714 . . . . 0.79 111.752 176.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.8 121.46 23.58 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.931 -0.652 . . . . 0.81 112.348 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.12 8.34 57.88 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.825 -0.702 . . . . 0.8 112.318 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 37.2 mt-10 -109.3 161.25 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 2.34 110.859 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -143.83 148.56 35.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.86 110.235 175.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 t -149.04 152.54 36.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 1.35 109.308 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.0 m -135.25 157.28 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 1.0 110.975 -175.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.566 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -138.46 158.31 44.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.26 110.089 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.8 m -126.71 126.3 43.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.464 -0.569 . . . . 1.14 109.464 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.82 159.74 23.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.988 0.423 . . . . 0.49 111.384 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -98.61 122.22 54.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.5 -0.773 . . . . 2.08 110.317 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 34.9 Cg_exo -60.51 -30.88 91.64 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.108 2.539 . . . . 0.53 113.271 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.98 -32.97 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.618 0.247 . . . . 0.62 110.593 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.83 -35.44 81.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 2.92 110.351 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 41.3 mt -79.93 -10.01 59.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 1.3 110.534 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.85 -7.27 58.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.611 . . . . 1.08 110.836 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -94.31 23.57 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 2.04 111.604 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.29 -169.85 38.52 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.847 -0.692 . . . . 0.74 111.715 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -108.55 119.83 40.65 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.784 -0.45 . . . . 2.02 109.784 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 58.5 m-85 -107.7 159.07 16.75 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.362 0.601 . . . . 0.4 112.383 -173.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -125.29 158.44 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.212 -0.903 . . . . 1.53 109.282 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.503 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 21.6 p90 -123.05 142.73 50.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.716 -0.846 . . . . 0.23 108.716 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.59 171.22 14.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.083 0.468 . . . . 0.19 112.021 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.2 t -98.54 122.34 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.98 -1.009 . . . . 0.16 108.568 173.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.2 p -92.95 11.5 27.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.15 0.426 . . . . 0.24 112.15 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.57 137.29 97.09 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.821 -0.807 . . . . 0.26 108.821 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.98 118.35 5.05 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.443 2.095 . . . . 0.49 112.51 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.87 5.33 74.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.472 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.48 -19.51 13.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.928 0.344 . . . . 0.38 111.928 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.71 -27.44 73.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.111 -0.566 . . . . 0.61 114.402 -170.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.86 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.355 0.577 . . . . 0.83 111.612 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.2 tp -96.29 -39.2 9.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.964 0.411 . . . . 2.13 110.892 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.435 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 10.4 mtm -97.97 83.65 3.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.273 -0.421 . . . . 0.65 111.283 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -152.79 158.19 41.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.702 -0.681 . . . . 1.13 110.007 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.18 -170.8 31.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.85 -0.69 . . . . 0.31 112.318 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 16.4 tppt? -108.18 131.87 54.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.106 0.479 . . . . 1.48 111.491 -175.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.14 119.44 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.545 -0.909 . . . . 1.11 108.545 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 26.1 m -108.62 138.63 44.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.925 -0.579 . . . . 0.97 111.418 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 104' ' ' LEU . 4.4 mm? -89.3 118.75 29.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 1.44 109.996 176.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 32.7 m -121.28 159.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 0.6 110.326 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.258 -0.428 . . . . 2.25 110.6 -178.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.355 0.122 . . . . 3.08 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.486 ' HA ' ' OD1' ' A' ' 5' ' ' ASN . 17.9 m 62.94 47.61 4.28 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.978 0.895 . . . . 3.52 110.261 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.38 -16.02 15.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.382 -0.826 . . . . 2.32 110.407 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.34 2.02 32.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.007 -0.616 . . . . 1.56 111.748 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.486 ' OD1' ' HA ' ' A' ' 2' ' ' THR . 16.4 m120 -86.88 113.06 22.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.752 0.311 . . . . 2.26 110.204 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 63.0 m -101.72 3.18 39.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.346 0.594 . . . . 0.62 110.347 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.4 148.31 28.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.843 -0.617 . . . . 0.32 110.157 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.98 141.9 28.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.411 -0.359 . . . . 0.27 110.456 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 m -108.5 129.47 55.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.14 0.495 . . . . 0.84 110.535 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 92.5 t -120.07 126.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.631 -0.713 . . . . 0.87 109.742 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.04 145.57 31.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.916 0.389 . . . . 1.98 110.768 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 23.0 t -132.37 137.03 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.099 -1.074 . . . . 0.97 108.099 172.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -121.46 -166.96 1.43 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.285 0.476 . . . . 1.14 112.285 -168.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.611 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 11.5 p-10 -75.35 -19.66 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.579 -0.737 . . . . 2.26 111.683 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -81.71 7.56 12.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.485 0.66 . . . . 1.59 110.083 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.6 mtt 62.53 59.49 1.5 Allowed 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 114.805 -1.089 . . . . 1.92 111.557 174.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.55 150.55 19.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.996 -0.547 . . . . 1.86 110.985 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -83.87 143.05 30.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.567 -0.742 . . . . 0.44 109.311 170.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -68.12 -20.26 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 2.31 111.286 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -132.92 145.63 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.327 . . . . 1.12 110.206 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -108.59 -6.87 15.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.346 0.593 . . . . 2.18 110.309 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -137.66 130.09 29.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.094 -0.503 . . . . 2.06 110.78 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.82 131.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.109 -0.496 . . . . 0.32 110.2 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -107.97 126.06 52.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.968 -0.56 . . . . 1.46 110.358 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.0 t -108.08 122.74 62.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.588 -0.733 . . . . 0.31 109.952 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.5 t -77.91 122.45 25.51 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.134 0.492 . . . . 1.16 111.005 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -69.54 -20.17 63.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.494 -0.775 . . . . 0.98 110.079 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.14 -10.68 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.684 -0.689 . . . . 0.65 110.827 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.665 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 88.4 m -95.81 142.53 27.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.972 -0.558 . . . . 0.49 109.858 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -78.33 -46.37 20.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.148 -0.478 . . . . 3.49 110.242 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -123.46 130.19 52.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.718 -0.475 . . . . 2.0 109.718 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 38.3 t80 -119.46 116.56 26.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.36 109.515 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 67.5 m -111.03 130.4 55.61 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.908 -0.587 . . . . 0.32 110.936 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.05 124.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.944 -0.571 . . . . 0.23 110.151 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -103.85 124.01 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.282 -0.417 . . . . 0.28 110.694 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 33.3 tp -99.91 130.75 46.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.554 . . . . 0.2 109.584 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.88 116.7 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.069 0.461 . . . . 2.62 110.064 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.4 t60 -100.71 98.92 9.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.107 0.479 . . . . 0.29 110.526 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -81.86 146.17 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.609 -0.723 . . . . 1.6 109.445 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.55 166.0 10.88 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.095 -0.802 . . . . 1.16 111.095 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.0 p -111.78 20.18 17.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.212 0.506 . . . . 1.53 110.972 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -99.34 133.58 21.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.128 -0.487 . . . . 2.08 110.958 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.66 158.22 57.86 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.356 2.704 . . . . 0.49 112.319 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -71.85 -15.74 62.13 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.753 -0.658 . . . . 1.82 111.936 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.89 61.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.853 0.358 . . . . 0.59 111.153 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 p -112.14 -51.33 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 1.51 110.873 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.611 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 50.6 ttm -126.46 67.17 1.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.524 0.678 . . . . 1.13 110.168 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.03 153.08 21.0 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 110.995 -0.842 . . . . 0.14 110.995 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.459 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 87.6 m-70 -134.9 150.35 50.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.59 -0.444 . . . . 0.15 110.947 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -142.4 169.72 17.05 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 1.48 108.823 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 tt -132.28 112.39 12.19 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.426 -0.583 . . . . 0.22 109.426 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.8 m -110.33 149.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.717 -0.674 . . . . 1.46 110.273 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -124.31 118.92 55.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.835 -0.432 . . . . 0.51 109.835 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -147.62 177.43 9.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.677 . . . . 0.32 111.21 -174.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -66.35 128.97 38.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.751 -0.659 . . . . 1.46 110.475 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB2' ' HG3' ' A' ' 110' ' ' LYS . . . -61.41 -31.06 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 0.77 112.282 -176.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.83 -13.34 59.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.406 -0.361 . . . . 2.89 111.811 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -122.76 14.95 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.576 0.703 . . . . 2.15 109.447 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 9.5 tpt -65.24 -34.42 78.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.272 -0.876 . . . . 0.78 110.984 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.22 -38.45 89.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 2.27 110.456 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.94 -31.12 79.89 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.732 -0.667 . . . . 0.66 111.611 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.22 -40.81 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.55 110.276 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -72.86 -30.33 63.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.53 110.754 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -72.0 -49.18 39.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 3.03 110.747 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.16 -16.33 59.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.17 -0.468 . . . . 2.28 110.713 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.08 -48.26 33.37 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.966 -0.561 . . . . 0.5 112.762 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -61.93 -30.22 48.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 1.04 110.913 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.22 14.83 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.53 112.548 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.439 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -127.02 51.03 1.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.202 0.525 . . . . 0.38 110.38 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.815 -0.63 . . . . 0.62 111.946 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.14 -0.18 30.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.712 0.292 . . . . 2.44 111.494 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 75' ' ' VAL . 19.0 p -128.19 44.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.739 0.304 . . . . 1.46 111.033 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 59.6 26.91 16.01 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.841 -0.618 . . . . 1.66 112.043 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CD2' HD11 ' A' ' 88' ' ' LEU . 42.4 m-85 62.43 31.89 16.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.68 111.537 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 72' ' ' THR . 13.5 m -132.53 154.9 40.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 1.38 110.222 175.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -108.32 89.8 6.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.92 -0.4 . . . . 2.55 109.92 175.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 75' ' ' VAL . 22.6 Cg_exo -65.07 -19.45 63.37 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.748 2.299 . . . . 1.92 113.313 -176.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -96.47 11.99 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.664 0.269 . . . . 3.52 111.298 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -102.37 151.09 22.68 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.888 -0.412 . . . . 3.58 109.888 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.1 -7.07 56.5 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.192 0.441 . . . . 1.02 112.192 -173.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -78.14 -20.26 52.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.209 0.528 . . . . 2.33 109.849 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.4 t -94.55 126.02 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.573 -0.74 . . . . 0.78 110.624 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.96 -44.06 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 0.91 110.087 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.14 156.62 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.36 110.179 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -158.2 152.9 24.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.665 0.269 . . . . 1.96 110.605 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.505 HG23 HD23 ' A' ' 97' ' ' LEU . 67.1 p -95.41 -179.16 4.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.195 -0.669 . . . . 0.5 109.195 169.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -99.7 168.52 9.87 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.519 -0.549 . . . . 2.85 109.519 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.545 HD11 ' CD2' ' A' ' 74' ' ' TYR . 24.0 mt -71.65 120.73 17.66 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.723 0.297 . . . . 1.24 110.659 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 28.7 pt -120.94 142.31 37.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.11 -0.495 . . . . 0.35 110.836 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.89 -168.17 30.75 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.79 111.691 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.6 116.93 9.23 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.785 -0.721 . . . . 0.81 111.996 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 99.23 20.52 17.75 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.779 -0.724 . . . . 0.8 112.283 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 49.9 mt-10 -129.88 157.1 43.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.868 0.366 . . . . 2.34 110.981 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -131.18 152.94 49.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 1.86 109.833 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.1 p -142.33 169.38 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 1.35 109.803 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -151.36 156.64 41.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 1.0 111.58 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.505 HD23 HG23 ' A' ' 86' ' ' THR . 4.5 pp -138.16 158.93 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.582 -0.735 . . . . 0.26 109.406 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.4 m -135.47 132.34 37.27 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.43 -0.581 . . . . 1.14 109.43 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.41 157.63 42.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.06 0.457 . . . . 0.49 111.101 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.32 115.41 64.02 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.266 -0.879 . . . . 2.08 109.417 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.592 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 50.6 Cg_exo -53.54 -30.77 56.01 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.172 2.581 . . . . 0.53 113.685 -176.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.44 -17.76 64.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 0.62 111.293 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -80.15 -11.68 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 2.92 110.584 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.424 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 55.6 mt -94.47 3.48 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 1.3 110.939 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.64 39.64 1.04 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.052 -0.522 . . . . 1.08 110.482 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.56 12.18 6.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 2.04 111.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.14 -168.45 25.09 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.248 -0.977 . . . . 0.74 112.58 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.97 123.39 33.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.986 -0.375 . . . . 2.02 109.986 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 57.7 m-85 -106.26 153.28 22.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.4 111.294 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HG3' ' HB2' ' A' ' 56' ' ' ALA . 48.1 mtpt -124.51 156.66 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.977 -0.556 . . . . 1.53 110.275 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.626 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 40.3 p90 -115.79 145.6 42.68 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.387 -0.968 . . . . 0.23 108.387 170.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.24 165.05 29.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.276 0.473 . . . . 0.19 112.276 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.7 t -99.94 119.79 38.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.808 -1.087 . . . . 0.16 108.233 172.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.2 p -90.33 16.77 8.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 0.24 111.825 -174.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -70.45 137.86 86.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.242 -0.651 . . . . 0.26 109.242 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 113.52 1.19 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.893 2.396 . . . . 0.49 112.973 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 95.57 -7.05 68.21 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.5 112.469 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -100.35 -29.57 12.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.734 -0.274 . . . . 0.38 111.421 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 113' ' ' CYS . . . -55.08 -49.29 63.5 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 114.548 0.579 . . . . 0.61 114.548 -170.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.93 -20.41 64.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.837 0.351 . . . . 0.83 111.589 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.5 tp -98.94 -44.57 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.381 -0.372 . . . . 2.13 111.315 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.8 mtt -98.92 82.44 2.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.987 0.422 . . . . 0.65 110.504 -172.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -153.43 153.15 31.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.742 -0.663 . . . . 1.13 110.461 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -154.15 -162.87 11.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.246 -0.741 . . . . 0.31 111.246 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -107.69 140.16 41.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.317 0.558 . . . . 1.48 112.125 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 111' ' ' PHE . 88.4 t -115.66 103.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.724 -0.843 . . . . 1.11 108.724 171.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 39.9 m -109.08 134.22 51.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.173 0.511 . . . . 0.97 111.573 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.58 123.62 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.524 -0.762 . . . . 1.44 109.855 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.65 154.68 14.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.421 . . . . 0.6 110.713 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 2.25 110.305 -178.055 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.032 -0.359 . . . . 3.08 110.032 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.2 m -139.52 -62.66 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.79 0.329 . . . . 3.52 111.373 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.91 -15.17 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.099 0.407 . . . . 2.32 112.099 -173.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.78 36.9 3.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.571 -0.823 . . . . 1.56 112.742 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -121.32 107.97 13.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.664 -0.315 . . . . 2.26 110.791 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 65.4 m -111.25 -8.91 14.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.159 0.504 . . . . 0.62 110.334 177.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.8 150.54 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.646 -0.707 . . . . 0.32 110.506 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.06 154.72 42.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 0.27 110.461 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 m -123.56 127.97 49.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.989 0.424 . . . . 0.84 110.637 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -116.94 130.96 70.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 0.87 109.977 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.08 129.03 48.3 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.304 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.8 p -118.28 135.22 54.42 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.241 -0.651 . . . . 0.97 109.241 175.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -122.5 -165.5 1.3 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.875 -0.33 . . . . 1.14 110.963 -173.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -90.13 4.29 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 2.26 111.763 -175.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -95.41 9.52 39.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.959 0.409 . . . . 1.59 110.4 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mtt 62.46 54.74 2.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.382 -0.827 . . . . 1.92 111.14 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -154.18 154.46 33.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.219 -0.446 . . . . 1.86 111.19 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE2' ' HG2' ' A' ' 122' ' ' MET . 60.4 m-85 -98.85 155.43 17.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.103 -1.073 . . . . 0.44 108.103 168.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -78.96 1.0 25.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 2.31 110.949 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -156.21 136.25 12.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.239 -0.437 . . . . 1.12 110.047 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -105.04 17.63 23.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.116 0.484 . . . . 2.18 110.172 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 30.7 t70 -143.64 134.36 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.672 -0.694 . . . . 2.06 110.531 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.2 mt -127.97 133.7 66.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.759 -0.46 . . . . 0.32 109.759 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -103.95 117.54 34.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.128 -0.487 . . . . 1.46 110.467 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 101' ' ' PRO . 85.9 t -107.2 120.92 59.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.068 -0.515 . . . . 0.31 110.208 178.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -77.43 121.35 23.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.039 0.447 . . . . 1.16 110.98 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.54 -19.05 60.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.784 -0.644 . . . . 0.98 110.672 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.98 63.1 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.409 0.623 . . . . 0.65 109.847 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 78.5 m -86.98 144.44 26.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.296 -0.865 . . . . 0.49 109.145 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 10.9 mptt -88.81 -23.75 22.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.752 0.311 . . . . 3.49 110.298 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -141.42 139.7 33.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 2.0 109.965 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -121.3 132.66 54.92 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.845 -0.428 . . . . 0.36 109.845 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 88.9 m -112.75 132.92 55.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.035 0.445 . . . . 0.32 111.137 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.09 130.43 74.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.088 -0.505 . . . . 0.23 110.094 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -110.24 126.35 54.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.28 -0.418 . . . . 0.28 110.462 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 tp -103.15 124.64 48.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.097 -0.501 . . . . 0.2 110.016 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -113.26 108.53 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.232 -0.44 . . . . 2.62 110.17 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.5 t60 -88.35 93.4 9.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.775 -0.454 . . . . 0.29 109.775 177.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 p -82.67 56.6 3.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 1.6 111.234 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.576 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -143.15 158.45 27.23 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.847 -0.901 . . . . 1.16 110.847 177.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -104.53 18.53 22.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.149 0.474 . . . . 1.53 111.854 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -99.47 136.52 20.36 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.168 -0.469 . . . . 2.08 110.466 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -65.42 153.11 79.7 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.4 2.733 . . . . 0.49 112.549 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -67.08 -19.03 65.59 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.659 -0.7 . . . . 1.82 111.831 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.46 -10.23 59.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.399 -0.364 . . . . 0.59 111.24 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 t -121.93 -55.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 1.51 110.311 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 tpp -127.54 68.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.651 0.738 . . . . 1.13 109.284 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.8 152.51 20.33 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 114.999 -1.0 . . . . 0.14 111.405 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 85.6 m-70 -134.25 151.36 51.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.991 0.424 . . . . 0.15 110.65 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -146.78 168.79 20.51 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.365 -0.834 . . . . 1.48 108.916 172.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 8.8 tt -133.37 117.24 17.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.723 -0.473 . . . . 0.22 109.723 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 7.4 p -117.81 146.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.891 -0.595 . . . . 1.46 109.686 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.414 HD12 ' CD2' ' A' ' 99' ' ' LEU . 46.4 mt -121.25 123.68 70.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.376 -0.375 . . . . 0.51 110.21 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.577 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -148.04 174.12 12.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 0.32 110.708 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.59 127.65 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 1.46 109.951 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HB2' ' A' ' 59' ' ' MET . . . -56.58 -32.93 65.69 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.378 0.881 . . . . 0.77 113.378 -169.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.62 -9.17 59.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.73 0.3 . . . . 2.89 111.516 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.83 8.12 8.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.665 0.745 . . . . 2.15 109.853 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.577 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 12.0 tpt -65.11 -34.87 79.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.361 -0.836 . . . . 0.78 110.884 -175.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 1.8 m-20 -62.3 -35.7 79.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.27 110.635 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.01 -28.81 72.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.892 -0.671 . . . . 0.66 111.681 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 81' ' ' ARG . 43.6 t -65.56 -39.97 86.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.55 110.386 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -68.59 -31.74 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.53 110.709 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.5 mtpt -69.68 -39.06 77.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.531 . . . . 3.03 110.32 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 76' ' ' LYS . 93.3 m-20 -73.89 -28.48 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.093 -0.503 . . . . 2.28 110.403 176.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 -44.87 48.49 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.556 -0.747 . . . . 0.5 113.224 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.71 -19.11 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.386 . . . . 1.04 111.39 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.38 16.32 55.31 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.57 -0.824 . . . . 0.53 112.412 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.415 ' HB1' ' CG2' ' A' ' 72' ' ' THR . . . -132.03 48.72 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.99 0.424 . . . . 0.38 111.447 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.62 111.479 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.81 -15.65 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 2.44 111.614 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.415 ' CG2' ' HB1' ' A' ' 69' ' ' ALA . 3.2 t -131.54 55.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.66 0.743 . . . . 1.46 110.932 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 56.8 28.2 14.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.058 -0.973 . . . . 1.66 112.489 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.497 ' CD2' HD11 ' A' ' 88' ' ' LEU . 47.3 m-85 60.65 39.52 17.58 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.114 0.566 . . . . 0.68 112.192 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.0 m -140.86 127.06 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 1.38 110.088 170.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 65' ' ' ASP . 88.1 tttt -72.37 134.03 82.73 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 109.096 -0.705 . . . . 2.55 109.096 177.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -67.67 52.91 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.9 2.4 . . . . 1.92 112.784 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.07 -29.29 23.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.0 -0.545 . . . . 3.52 110.138 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.31 -37.57 0.38 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.402 -0.817 . . . . 3.58 113.004 176.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.92 -39.17 64.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 1.02 110.505 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' HB3' HG22 ' A' ' 62' ' ' VAL . 71.5 mtt180 -80.35 -2.41 45.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.063 -0.517 . . . . 2.33 111.133 175.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.5 t -130.28 84.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 0.78 110.294 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.32 -39.22 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.505 0.669 . . . . 0.91 109.683 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -162.95 151.15 13.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.883 -1.053 . . . . 0.36 109.251 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 30.4 t-80 -156.62 133.88 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 1.96 111.703 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.604 HG23 HD23 ' A' ' 97' ' ' LEU . 30.9 p -88.73 145.5 25.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.5 109.884 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.55 154.34 42.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.547 -0.297 . . . . 2.85 110.611 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.497 HD11 ' CD2' ' A' ' 74' ' ' TYR . 34.9 mt -60.97 114.66 3.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.165 -0.47 . . . . 1.24 110.108 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 14.0 pt -109.24 135.01 49.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-O 121.198 0.523 . . . . 0.35 111.238 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.92 -139.33 10.75 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.066 -0.97 . . . . 0.79 112.866 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -69.62 110.87 3.55 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.303 -0.475 . . . . 0.81 113.225 -174.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.61 28.82 58.75 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.855 -0.688 . . . . 0.8 112.807 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 59.0 mt-10 -113.96 161.21 17.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 2.34 110.783 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -143.07 153.15 42.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.506 -0.77 . . . . 1.86 109.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.535 ' OG ' ' HB ' ' A' ' 86' ' ' THR . 15.5 p -148.87 153.47 38.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.675 0.274 . . . . 1.35 110.433 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -128.75 158.92 37.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 1.0 110.792 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.604 HD23 HG23 ' A' ' 86' ' ' THR . 4.2 pp -138.44 161.27 37.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.26 109.61 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 36.3 m -135.04 131.78 37.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.251 -0.648 . . . . 1.14 109.251 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' A' ' 53' ' ' ILE . 3.6 pp -129.37 158.87 37.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.371 . . . . 0.49 111.261 -175.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.05 111.46 54.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.618 -0.719 . . . . 2.08 109.794 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.416 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 31.0 Cg_endo -63.99 -19.8 66.97 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.997 2.465 . . . . 0.53 113.414 -173.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.45 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.053 0.454 . . . . 0.62 110.99 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -81.18 -22.43 38.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 2.92 110.614 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.96 -8.54 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 1.3 110.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.32 -6.16 50.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 1.08 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.1 -31.22 62.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.84 -0.618 . . . . 2.04 111.438 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.7 -147.45 8.45 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.928 -1.129 . . . . 0.74 113.169 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.55 115.49 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 2.02 110.136 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 13.6 m-85 -107.7 151.92 25.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.176 -0.466 . . . . 0.4 111.647 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.408 ' HG2' ' HD2' ' A' ' 125' ' ' LYS . 63.0 mtpt -137.65 159.62 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 1.53 110.381 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 38.6 p90 -122.43 150.14 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.17 -0.678 . . . . 0.23 109.17 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.62 164.92 19.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.19 111.672 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 41.0 t -92.94 121.45 34.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.992 -1.004 . . . . 0.16 108.359 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.1 p -88.88 15.54 8.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.063 0.394 . . . . 0.24 112.063 -173.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -69.58 131.47 89.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.746 -0.835 . . . . 0.26 108.746 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.58 115.43 2.39 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.922 2.415 . . . . 0.49 112.523 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.98 -30.62 9.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.438 -0.665 . . . . 0.5 111.438 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -80.17 -44.25 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.619 0.247 . . . . 0.38 110.464 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -16.95 20.9 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 114.342 0.497 . . . . 0.61 114.342 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.1 -32.69 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.986 0.393 . . . . 0.83 111.77 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.82 -7.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 2.13 111.784 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.496 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 9.2 ttm -109.8 73.85 0.86 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.37 0.605 . . . . 0.65 109.687 -175.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -143.01 168.59 19.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.269 -0.878 . . . . 1.13 110.824 -174.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -165.61 -176.32 36.95 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.851 -0.69 . . . . 0.31 112.188 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 28.3 mmmt -104.64 132.61 50.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.672 0.272 . . . . 1.48 110.447 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.5 p -110.79 115.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.007 -0.738 . . . . 1.11 109.007 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.5 m -104.98 131.99 51.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.437 -0.801 . . . . 0.97 111.144 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.73 112.74 21.33 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.068 -0.715 . . . . 1.44 109.068 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.72 172.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.767 -0.651 . . . . 0.6 110.491 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.247 -0.433 . . . . 2.25 111.343 -179.031 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.728 0.299 . . . . 3.08 110.567 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.7 p -97.39 -62.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.784 0.326 . . . . 3.52 111.343 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.48 13.88 29.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.022 0.439 . . . . 2.32 110.75 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.55 36.94 3.65 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.114 -0.565 . . . . 1.56 112.341 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -99.83 107.98 20.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.007 -0.368 . . . . 2.26 110.007 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 62.9 m -109.68 -9.16 14.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.288 0.566 . . . . 0.62 110.373 178.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.96 154.03 33.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 0.32 110.254 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.44 26.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.0 -0.545 . . . . 0.27 110.211 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -109.64 115.4 29.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.993 0.425 . . . . 0.84 110.118 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.9 t -108.26 122.97 63.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.944 -0.571 . . . . 0.87 109.915 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.546 ' H ' ' HB2' ' A' ' 19' ' ' ASN . 32.8 mt-10 -93.84 143.07 26.67 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 1.98 109.843 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -132.13 136.84 47.4 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.305 -0.628 . . . . 0.97 109.305 175.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -125.61 -176.58 3.64 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.921 -0.312 . . . . 1.14 110.841 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -83.75 2.26 38.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 2.26 110.368 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -88.39 5.0 44.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 1.59 110.35 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.0 mtp 67.01 54.76 0.74 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.306 -0.861 . . . . 1.92 111.362 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -157.95 171.33 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.86 110.533 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -115.2 172.89 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.44 110.994 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.546 ' HB2' ' H ' ' A' ' 11' ' ' GLU . 23.3 t-20 -66.58 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 2.31 110.525 173.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -147.76 159.82 43.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.583 . . . . 1.12 110.156 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -118.24 7.86 12.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 2.18 109.39 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.21 135.83 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.168 -0.924 . . . . 2.06 110.0 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.18 129.97 67.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.435 . . . . 0.32 110.075 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -107.58 114.1 27.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.07 -0.513 . . . . 1.46 110.825 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.06 118.46 45.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 0.31 110.292 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.408 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 22.5 m -80.85 121.95 26.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.062 0.458 . . . . 1.16 110.571 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.04 -24.69 67.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.669 -0.696 . . . . 0.98 112.431 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.48 6.89 9.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.044 0.449 . . . . 0.65 111.539 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 26' ' ' SER . 71.5 m -100.63 141.24 33.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.194 -0.457 . . . . 0.49 110.396 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -64.71 -50.07 68.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.83 -0.623 . . . . 3.49 110.292 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -138.97 148.9 44.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 2.0 109.806 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.1 t80 -108.74 115.75 30.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.354 -0.61 . . . . 0.36 109.354 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -97.86 109.08 21.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.253 0.549 . . . . 0.32 111.406 -174.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -100.04 120.35 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 0.23 109.906 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -108.56 121.94 46.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.289 -0.414 . . . . 0.28 110.803 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 30.4 tp -100.88 126.45 47.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.037 -0.529 . . . . 0.2 109.878 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -120.63 110.12 16.05 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.28 -0.418 . . . . 2.62 109.938 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.1 t60 -85.21 91.86 8.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 0.29 110.126 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -82.38 77.16 9.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.081 -0.963 . . . . 1.6 110.372 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.04 -175.42 22.91 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.585 -1.006 . . . . 1.16 110.585 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.5 p -125.08 13.87 8.41 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 117.186 0.493 . . . . 1.53 111.34 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 13.7 mm100 -93.03 135.71 25.52 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.21 -0.45 . . . . 2.08 111.173 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.63 154.48 68.21 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.863 2.375 . . . . 0.49 111.38 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -67.13 -15.69 63.87 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.605 0.594 . . . . 1.82 112.605 -171.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.7 -12.78 59.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.934 0.397 . . . . 0.59 111.104 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -111.79 -58.38 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.386 -0.37 . . . . 1.51 110.277 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.422 ' HB3' ' CB ' ' A' ' 42' ' ' GLN . 56.7 tpp -133.38 71.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.324 0.583 . . . . 1.13 109.632 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.38 152.26 20.14 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.458 -0.792 . . . . 0.14 111.299 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.455 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 86.5 m-70 -135.42 153.4 51.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.15 110.886 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -143.49 175.26 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.624 -0.716 . . . . 1.48 109.135 169.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -135.02 114.31 12.33 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.41 -0.589 . . . . 0.22 109.41 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 21.6 m -110.74 149.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 1.46 110.633 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.3 mm -116.01 116.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.949 -0.569 . . . . 0.51 109.676 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.74 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -148.9 172.23 15.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 0.32 110.773 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.7 150.33 37.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.391 -0.368 . . . . 1.46 110.825 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.93 -51.42 63.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.365 . . . . 0.77 111.945 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.76 -27.6 65.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 2.89 111.777 -176.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -97.06 -0.34 47.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.996 0.427 . . . . 2.15 110.917 -174.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.74 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 7.2 tpt -67.22 -35.07 78.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 0.78 110.874 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.97 -41.27 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 2.27 111.039 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.93 -29.9 73.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.799 -0.715 . . . . 0.66 111.866 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.63 -45.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.744 0.307 . . . . 0.55 110.573 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.476 ' O ' HG23 ' A' ' 67' ' ' VAL . 44.4 m-85 -65.35 -41.13 94.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.405 -0.361 . . . . 0.53 110.681 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -61.22 -49.19 78.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 3.03 110.857 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.22 -30.37 64.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 2.28 109.952 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.64 92.63 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.364 -0.834 . . . . 0.5 112.725 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 63' ' ' PHE . 87.2 t -61.03 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 1.04 110.678 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.87 8.45 79.78 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.908 -0.663 . . . . 0.53 112.128 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 72' ' ' THR . . . -116.34 41.23 2.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.501 . . . . 0.38 110.641 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.11 67.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.62 111.604 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 -11.77 59.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.954 -0.567 . . . . 2.44 111.81 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.428 ' CG2' ' HB1' ' A' ' 69' ' ' ALA . 5.4 t -130.81 54.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.603 0.716 . . . . 1.46 111.174 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 63.51 23.38 13.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.264 -0.88 . . . . 1.66 112.315 171.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 60.47 35.58 20.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.005 -0.543 . . . . 0.68 111.563 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.558 ' O ' ' HD3' ' A' ' 77' ' ' PRO . 8.0 p -155.32 136.22 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 1.38 109.957 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -81.44 107.12 7.12 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 2.55 110.592 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.558 ' HD3' ' O ' ' A' ' 75' ' ' VAL . 24.1 Cg_exo -64.92 -26.55 59.1 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.858 2.372 . . . . 1.92 112.718 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -98.35 25.75 6.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.863 0.363 . . . . 3.52 110.954 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.43 139.83 37.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.956 -0.387 . . . . 3.58 109.956 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.19 -16.58 39.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.36 -0.382 . . . . 1.02 111.791 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -71.82 -29.86 64.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.962 0.411 . . . . 2.33 110.127 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 t -89.0 117.88 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.651 -0.704 . . . . 0.78 110.051 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.01 -44.0 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 0.91 110.186 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.32 156.64 26.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.408 -0.814 . . . . 0.36 109.579 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -151.97 150.4 29.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.921 0.391 . . . . 1.96 110.872 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.489 HG23 HD23 ' A' ' 97' ' ' LEU . 76.8 p -89.51 176.47 6.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.714 -0.847 . . . . 0.5 108.714 169.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -90.37 164.22 14.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.501 -0.555 . . . . 2.85 109.501 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -80.09 100.75 8.36 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.049 -0.723 . . . . 1.24 109.049 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.2 pt -103.71 147.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.343 0.592 . . . . 0.35 112.163 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.32 -171.96 32.29 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.174 -0.921 . . . . 0.79 111.683 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.45 112.89 5.13 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.073 -0.584 . . . . 0.81 112.595 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.16 -9.23 18.06 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.631 -0.795 . . . . 0.8 112.55 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -106.99 156.0 19.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 2.34 111.249 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -123.67 156.95 34.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.485 -0.78 . . . . 1.86 109.691 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 t -153.15 141.22 20.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 1.35 109.779 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 m -129.33 161.57 29.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 1.0 111.012 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -142.98 159.77 41.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 0.26 109.874 176.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -128.39 124.39 36.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 1.14 110.37 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.2 pp -121.1 154.86 35.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.777 -0.453 . . . . 0.49 109.777 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.9 p30 -95.42 135.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.921 -0.4 . . . . 2.08 109.921 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 17.8 Cg_exo -67.0 -12.24 35.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.792 2.328 . . . . 0.53 112.872 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.36 75.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.78 0.324 . . . . 0.62 110.697 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -67.12 -31.57 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.304 -0.407 . . . . 2.92 110.767 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.587 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.27 -17.71 44.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.839 0.352 . . . . 1.3 111.014 -178.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.19 60.94 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.11 -0.495 . . . . 1.08 110.472 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -167.97 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 2.04 111.813 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.5 -173.73 18.84 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.655 -1.26 . . . . 0.74 113.742 -175.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.74 117.15 29.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.749 -0.463 . . . . 2.02 109.749 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.587 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 40.6 m-85 -106.92 154.54 20.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.336 0.588 . . . . 0.4 112.038 -176.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.28 154.79 45.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.521 -0.763 . . . . 1.53 109.353 175.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 48.1 p90 -115.39 153.84 30.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.308 -0.627 . . . . 0.23 109.308 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.21 167.17 18.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.571 0.582 . . . . 0.19 112.571 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 44.9 t -96.23 124.59 40.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.444 -1.253 . . . . 0.16 108.304 171.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.8 p -92.84 11.0 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.299 0.481 . . . . 0.24 112.299 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -63.75 134.35 95.87 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.336 -0.616 . . . . 0.26 109.336 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.16 107.79 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.107 2.538 . . . . 0.49 113.324 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.93 -25.63 23.33 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.724 -0.671 . . . . 0.5 112.191 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -79.12 -36.4 40.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.544 0.212 . . . . 0.38 111.167 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.13 -30.9 61.31 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 116.17 -0.468 . . . . 0.61 114.147 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.28 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.813 0.301 . . . . 0.83 111.813 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 32.9 tp -120.16 -38.81 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 2.13 111.435 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.413 ' HE1' ' HE1' ' A' ' 49' ' ' HIS . 38.3 mtt -90.51 72.76 6.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.947 0.403 . . . . 0.65 110.713 -174.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -147.12 149.08 32.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 1.13 110.274 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.51 13.49 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.798 -0.637 . . . . 0.31 111.88 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -104.08 141.48 36.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 1.48 111.107 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.21 114.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.209 -0.663 . . . . 1.11 109.209 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.9 m -116.72 141.21 48.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.583 -0.735 . . . . 0.97 111.38 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 20.0 tp -80.6 125.11 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 1.44 109.456 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.0 m -110.17 154.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.251 0.548 . . . . 0.6 111.019 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 2.25 110.477 -175.847 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.565 0.222 . . . . 3.08 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p -62.73 115.35 4.25 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.343 -0.39 . . . . 3.52 110.658 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.606 ' HA ' ' OG ' ' A' ' 26' ' ' SER . . . 60.63 41.42 15.31 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.936 -0.575 . . . . 2.32 110.604 -176.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.33 33.58 1.68 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.789 -0.72 . . . . 1.56 112.369 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -159.74 135.64 8.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.956 0.408 . . . . 2.26 110.836 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.539 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 64.7 m -119.74 -16.03 8.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.017 -0.538 . . . . 0.62 110.667 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -145.84 146.01 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.009 -0.541 . . . . 0.32 110.386 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 140.02 50.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.221 -0.445 . . . . 0.27 110.846 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 m -105.15 122.87 46.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.21 -0.45 . . . . 0.84 110.128 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.4 t -122.2 130.5 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.751 -0.462 . . . . 0.87 109.751 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.97 142.62 44.15 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.618 -0.512 . . . . 1.98 109.618 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -122.56 134.35 54.54 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.144 -0.687 . . . . 0.97 109.144 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -113.83 -170.48 1.71 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.138 0.494 . . . . 1.14 111.832 -169.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.733 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 7.3 p-10 -84.05 5.56 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.703 -0.68 . . . . 2.26 111.145 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -96.64 7.02 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.185 0.517 . . . . 1.59 109.896 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.25 53.09 5.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.875 -1.057 . . . . 1.92 111.176 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -155.56 154.54 31.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 1.86 110.61 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 48.5 m-85 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.44 109.869 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -61.61 -21.27 64.21 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.867 -0.606 . . . . 2.31 111.931 176.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -138.39 160.89 38.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.188 0.518 . . . . 1.12 111.567 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -115.65 -7.0 12.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 2.18 110.521 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 7.5 p-10 -143.62 136.04 27.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 2.06 110.922 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 93.3 mt -128.91 130.28 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.706 -0.479 . . . . 0.32 109.706 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -108.06 125.03 51.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.291 -0.413 . . . . 1.46 110.408 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -103.08 117.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.054 -0.521 . . . . 0.31 110.404 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.606 ' OG ' ' HA ' ' A' ' 3' ' ' ALA . 47.2 t -74.7 125.54 28.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.007 -0.542 . . . . 1.16 110.747 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 130' ' ' ASP . 19.8 ptpt -75.78 -9.18 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.98 110.362 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.56 -1.08 22.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.271 0.558 . . . . 0.65 110.398 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 85.9 m -112.02 138.47 48.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.529 -0.76 . . . . 0.49 109.612 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -74.75 -32.73 62.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.232 0.539 . . . . 3.49 109.798 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.93 139.91 45.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.587 -0.733 . . . . 2.0 109.987 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -117.87 124.24 47.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.317 -0.623 . . . . 0.36 109.317 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 27.5 m -108.32 132.77 53.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.32 110.929 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -120.37 123.39 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.194 -0.457 . . . . 0.23 109.925 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -105.3 120.57 41.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.293 -0.412 . . . . 0.28 110.239 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 28.6 tp -106.63 129.28 54.57 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.064 -0.516 . . . . 0.2 109.698 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -129.13 128.37 43.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 2.62 110.132 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.575 ' O ' ' HA2' ' A' ' 92' ' ' GLY . 0.9 OUTLIER -87.02 102.26 14.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.663 -0.699 . . . . 0.29 110.066 -176.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 p -79.42 53.87 1.62 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.724 0.773 . . . . 1.6 110.599 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.43 129.28 2.65 Favored Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 115.19 -0.914 . . . . 1.16 110.88 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -82.55 10.09 8.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.467 0.651 . . . . 1.53 110.774 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.59 131.58 60.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 2.08 110.467 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.09 157.68 55.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.569 2.846 . . . . 0.49 112.426 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -69.76 -16.79 63.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.627 -0.715 . . . . 1.82 112.077 -171.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -20.53 45.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.441 -0.345 . . . . 0.59 110.881 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -105.65 -46.79 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.449 . . . . 1.51 110.782 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.733 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 47.2 ttm -152.07 80.59 1.26 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.296 0.57 . . . . 1.13 110.102 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.47 158.2 19.36 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.795 -0.716 . . . . 0.14 111.431 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 82.1 m-70 -131.27 151.46 51.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.357 -0.537 . . . . 0.15 111.058 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.75 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 30.3 t30 -151.71 136.0 16.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.263 -0.881 . . . . 1.48 109.078 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -111.49 115.56 29.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.047 0.451 . . . . 0.22 110.038 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 20.5 m -114.6 146.41 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.803 -0.635 . . . . 1.46 110.528 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.0 mt -114.59 117.54 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.27 -0.423 . . . . 0.51 109.868 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.56 172.72 12.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 0.32 110.801 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -70.52 139.54 51.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.736 -0.665 . . . . 1.46 110.381 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.87 -57.7 4.67 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.186 0.81 . . . . 0.77 113.186 -172.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -85.37 0.99 50.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.84 0.311 . . . . 2.89 111.84 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -100.73 -7.88 23.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 2.15 110.082 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 mmt -54.0 -35.44 61.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.581 -0.736 . . . . 0.78 111.929 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.83 -44.92 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 2.27 110.822 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.28 -31.09 64.03 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.929 -0.653 . . . . 0.66 111.533 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.91 -46.51 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.216 . . . . 0.55 110.536 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -65.79 -40.84 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.543 0.211 . . . . 0.53 110.74 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -58.27 -54.87 42.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 3.03 110.848 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . 1.9 m-20 -77.33 -15.44 59.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 2.28 111.0 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.05 -48.16 8.63 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.118 -0.563 . . . . 0.5 111.931 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.1 -32.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 1.04 109.877 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.11 16.45 33.16 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.649 -0.705 . . . . 0.53 112.243 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.49 43.31 2.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.211 0.529 . . . . 0.38 110.161 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.62 -30.93 69.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.591 -0.731 . . . . 0.62 111.568 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.37 -11.95 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 2.44 111.531 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.5 t -135.06 60.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.507 0.67 . . . . 1.46 111.484 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.92 20.73 11.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.366 -0.834 . . . . 1.66 112.898 170.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 60.77 33.34 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.68 111.257 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.05 141.0 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.281 -0.637 . . . . 1.38 109.281 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HD2' ' HB3' ' A' ' 65' ' ' ASP . 83.5 tttt -84.7 118.14 70.35 Favored Pre-proline 0 C--N 1.319 -0.73 0 C-N-CA 120.825 -0.35 . . . . 2.55 110.278 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.93 102.03 0.1 Allowed 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.595 2.197 . . . . 1.92 110.844 173.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -176.89 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.44 -0.8 . . . . 3.52 109.719 -171.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 62.53 19.45 11.24 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.453 -1.249 . . . . 3.58 113.036 171.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -94.11 -38.0 11.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.938 0.399 . . . . 1.02 110.656 176.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -89.56 -0.78 57.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.228 0.537 . . . . 2.33 110.08 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.25 123.06 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.723 -0.672 . . . . 0.78 109.675 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -75.63 -42.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.126 0.489 . . . . 0.91 110.213 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.27 151.7 21.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.566 -0.743 . . . . 0.36 109.915 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -154.95 140.47 17.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.887 0.375 . . . . 1.96 111.138 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.524 HG23 HD23 ' A' ' 97' ' ' LEU . 32.2 p -83.18 -179.27 7.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.5 109.431 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -105.22 155.3 19.19 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.726 -0.472 . . . . 2.85 109.726 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 tp -66.29 115.57 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 1.24 110.758 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.3 pt -113.95 138.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 0.35 111.737 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -140.53 164.2 26.35 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.79 112.066 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.37 20.89 63.81 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 114.49 0.556 . . . . 0.81 114.49 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 38' ' ' HIS . . . 103.19 5.48 46.47 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.318 -0.944 . . . . 0.8 113.503 176.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.07 166.57 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 2.34 111.081 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.54 157.5 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.765 -0.652 . . . . 1.86 110.778 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.2 t -154.65 151.55 28.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.311 -0.626 . . . . 1.35 109.311 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -130.84 157.19 43.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.833 0.349 . . . . 1.0 110.959 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.524 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -134.51 159.32 41.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 0.26 109.907 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 m -133.39 124.67 27.55 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.293 -0.632 . . . . 1.14 109.293 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 pp -118.07 156.38 28.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.972 0.415 . . . . 0.49 111.593 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 102' ' ' ALA . 31.9 t70 -94.61 112.51 58.12 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 2.08 109.461 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.22 -12.58 33.38 Favored 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.808 2.339 . . . . 0.53 113.925 -173.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.427 ' HB3' ' OD2' ' A' ' 100' ' ' ASP . . . -70.73 -25.44 62.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.776 0.322 . . . . 0.62 110.747 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -67.72 -31.09 70.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 2.92 110.905 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.433 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -85.6 2.58 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 1.3 111.326 -175.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.93 -14.75 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.172 -0.467 . . . . 1.08 110.523 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -116.98 66.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.071 -0.513 . . . . 2.04 111.004 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.49 172.57 13.27 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.538 -0.839 . . . . 0.74 112.744 174.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -99.7 121.02 40.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.149 0.5 . . . . 2.02 109.891 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.433 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 51.7 m-85 -106.33 155.44 19.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.732 -0.667 . . . . 0.4 110.842 -177.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 124' ' ' GLY . 34.2 mtmt -131.92 163.05 29.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.056 -0.52 . . . . 1.53 109.899 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.596 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 50.1 p90 -117.85 144.09 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.967 -0.753 . . . . 0.23 108.967 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.89 163.15 38.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.919 0.39 . . . . 0.19 111.826 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 14.9 t -96.43 119.87 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.296 -0.865 . . . . 0.16 108.799 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -86.57 10.25 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.051 0.389 . . . . 0.24 112.051 -174.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -69.18 133.02 89.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.765 -0.828 . . . . 0.26 108.765 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.32 116.61 3.27 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.708 2.272 . . . . 0.49 112.905 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.77 -12.37 65.97 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.738 -0.665 . . . . 0.5 112.143 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -91.73 -27.32 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.86 0.318 . . . . 0.38 111.86 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.84 -41.25 58.25 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.285 -0.483 . . . . 0.61 113.245 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.53 65.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.945 0.35 . . . . 0.83 111.945 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.1 mt -101.32 -16.65 16.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.052 0.453 . . . . 2.13 111.292 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.526 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 9.3 mtm -130.98 81.26 1.98 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.65 111.375 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.31 143.37 23.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 1.13 109.478 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 110' ' ' LYS . . . -154.35 -176.07 26.25 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.058 -0.591 . . . . 0.31 111.952 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 22.4 tptm -103.71 136.26 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 1.48 111.39 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -123.49 118.33 54.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.349 -0.611 . . . . 1.11 109.349 173.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -122.39 141.95 51.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.883 -0.599 . . . . 0.97 111.347 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.46 131.34 36.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 1.44 109.978 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.6 m -120.74 155.16 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.452 . . . . 0.6 110.818 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . 22.0 t70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.625 -0.716 . . . . 2.25 110.492 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.673 0.273 . . . . 3.08 110.44 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 t -72.52 -18.35 61.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.341 -0.39 . . . . 3.52 111.213 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.64 34.85 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.077 0.465 . . . . 2.32 110.457 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.25 29.14 0.98 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.624 -0.798 . . . . 1.56 112.665 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -101.0 133.99 44.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.839 0.352 . . . . 2.26 110.117 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.5 m -114.57 -9.47 12.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.251 -0.431 . . . . 0.62 111.603 -175.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.29 149.58 29.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.416 -0.356 . . . . 0.32 110.586 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.8 148.21 33.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.146 -0.479 . . . . 0.27 110.618 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 m -114.97 126.09 54.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.282 -0.417 . . . . 0.84 110.049 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.9 t -118.0 129.08 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.897 0.379 . . . . 0.87 110.38 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -100.91 130.87 46.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.065 -0.516 . . . . 1.98 110.619 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 8.7 p -116.76 137.03 52.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.64 -0.504 . . . . 0.97 109.64 175.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -122.9 170.38 10.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.555 -0.293 . . . . 1.14 110.78 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.92 2.25 18.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.113 0.412 . . . . 2.26 112.113 -176.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 10.23 28.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 1.59 110.722 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp 63.1 69.37 0.58 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.258 -0.883 . . . . 1.92 112.199 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -160.16 157.62 28.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.919 0.39 . . . . 1.86 110.629 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.22 146.06 26.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.483 -0.78 . . . . 0.44 109.065 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.53 -31.18 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 2.31 110.787 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 t -126.02 150.99 47.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.732 -0.47 . . . . 1.12 109.732 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -103.0 -16.05 15.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.002 0.43 . . . . 2.18 110.601 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -135.95 142.24 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.023 -0.535 . . . . 2.06 110.095 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.87 129.05 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 0.32 110.01 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -108.35 125.04 51.26 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.081 -0.508 . . . . 1.46 110.085 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.83 120.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.86 -0.609 . . . . 0.31 110.434 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.4 m -81.34 120.4 24.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 1.16 111.138 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HA ' ' HB2' ' A' ' 101' ' ' PRO . 21.9 ptmt -67.83 -18.28 64.78 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.904 -0.589 . . . . 0.98 111.171 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.52 -8.18 38.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 0.65 111.215 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 86.2 m -97.41 140.72 31.43 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.866 -0.606 . . . . 0.49 109.968 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.48 -31.85 67.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 3.49 110.19 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.1 144.28 25.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 2.0 109.964 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -117.3 128.82 55.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.197 -0.668 . . . . 0.36 109.197 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 89.5 m -116.91 134.59 54.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.057 0.456 . . . . 0.32 110.91 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -122.88 125.28 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 0.23 109.83 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 m -106.92 122.32 46.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 0.28 110.771 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -97.32 124.11 41.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.866 -0.607 . . . . 0.2 110.017 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' CD ' ' HB3' ' A' ' 94' ' ' GLU . 57.1 tptt -116.16 110.06 18.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.638 -0.504 . . . . 2.62 109.638 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.46 ' HD2' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -92.94 99.95 12.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.29 110.321 -177.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -78.81 147.24 33.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.796 -0.638 . . . . 1.6 109.472 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 -168.49 23.16 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.785 -0.721 . . . . 1.16 111.9 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.1 m -126.71 -24.43 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.765 0.283 . . . . 1.53 111.765 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.63 137.2 92.78 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.063 0.459 . . . . 2.08 111.982 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -73.15 159.63 47.05 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 123.235 2.623 . . . . 0.49 112.254 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -63.79 -25.99 68.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.243 -0.889 . . . . 1.82 113.169 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.5 53.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.779 0.323 . . . . 0.59 111.347 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -101.62 -52.42 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 1.51 110.262 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.5 tpp -136.77 65.87 1.49 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.535 0.683 . . . . 1.13 109.23 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.18 156.08 22.64 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.122 -0.945 . . . . 0.14 111.674 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.467 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 89.2 m-70 -136.57 148.13 47.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.866 0.365 . . . . 0.15 110.702 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -140.43 167.39 22.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.892 -0.781 . . . . 1.48 108.892 168.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -130.22 110.33 11.48 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.833 -0.803 . . . . 0.22 108.833 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.3 m -109.62 142.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.84 -0.618 . . . . 1.46 110.261 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 110' ' ' LYS . 43.5 mt -119.83 122.44 68.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.949 0.404 . . . . 0.51 109.975 176.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.42 161.18 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.631 -0.713 . . . . 0.32 110.643 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -68.78 123.39 20.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.495 -0.775 . . . . 1.46 109.573 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.27 15.14 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.222 0.823 . . . . 0.77 113.222 -169.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.96 -32.37 67.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 2.89 111.958 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 5.8 m-20 -102.98 -5.57 23.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.058 0.456 . . . . 2.15 110.507 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 110' ' ' LYS . 22.0 ttt -75.0 -24.33 58.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.78 111.168 -175.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.85 -42.66 89.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 2.27 109.832 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.55 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.316 -0.856 . . . . 0.66 112.222 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 59' ' ' MET . 75.9 t -72.7 -44.89 59.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.608 0.242 . . . . 0.55 110.548 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 67' ' ' VAL . 79.4 m-85 -62.4 -49.74 74.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.53 110.478 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.18 -38.4 91.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.642 -0.708 . . . . 3.03 111.257 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' HB2' ' A' ' 76' ' ' LYS . 13.0 t70 -73.56 -39.79 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.953 0.406 . . . . 2.28 110.603 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.47 -30.98 77.46 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.71 -0.677 . . . . 0.5 113.341 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 63' ' ' PHE . 81.1 t -60.17 -33.17 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.002 0.429 . . . . 1.04 110.696 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.38 -8.29 85.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.53 112.428 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -106.71 49.8 0.79 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.962 0.411 . . . . 0.38 110.815 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.61 -31.97 71.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 0.62 111.821 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -80.21 -17.07 53.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.19 -0.459 . . . . 2.44 111.777 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 69' ' ' ALA . 22.6 p -117.38 52.63 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.89 0.376 . . . . 1.46 111.429 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 62.02 22.53 13.15 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.761 -0.654 . . . . 1.66 112.072 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 60.04 32.27 20.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.3 0.571 . . . . 0.68 111.494 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.72 144.64 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.53 -0.915 . . . . 1.38 108.53 172.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HB2' ' OD1' ' A' ' 65' ' ' ASP . 37.6 ttpt -86.33 128.86 55.66 Favored Pre-proline 0 C--N 1.317 -0.846 0 C-N-CA 120.6 -0.44 . . . . 2.55 110.135 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.53 68.89 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.807 2.338 . . . . 1.92 111.323 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -153.97 -45.59 0.09 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.151 -0.931 . . . . 3.52 109.286 -174.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 51.16 56.59 7.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.43 -0.805 . . . . 3.58 112.328 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.77 -35.94 15.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.961 -0.563 . . . . 1.02 110.328 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HD3' ' O ' ' A' ' 58' ' ' ASP . 78.9 mtt180 -102.87 -23.58 13.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.07 -0.514 . . . . 2.33 110.244 177.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.7 t -87.14 128.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.712 -0.676 . . . . 0.78 110.408 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.99 -40.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.91 110.228 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 97' ' ' LEU . . . -157.96 150.5 22.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.758 -0.656 . . . . 0.36 110.47 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -155.29 142.99 19.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 1.96 111.031 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.571 HG23 HD23 ' A' ' 97' ' ' LEU . 72.0 p -91.01 167.9 12.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.532 -0.544 . . . . 0.5 109.532 172.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -93.85 161.51 14.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.335 -0.393 . . . . 2.85 109.985 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 88' ' ' LEU . 15.9 mt -66.05 115.55 6.21 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.223 0.535 . . . . 1.24 110.74 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.46 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 20.0 pt -114.33 137.61 47.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.396 -0.82 . . . . 0.35 111.003 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.42 -173.09 48.23 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.73 -0.668 . . . . 0.79 112.122 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.57 111.52 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.102 -0.57 . . . . 0.81 112.755 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.94 -16.95 22.82 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.182 -0.532 . . . . 0.8 112.09 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 43.1 mt-10 -86.87 171.02 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 2.34 111.635 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.426 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 11.3 pt-20 -153.97 148.19 25.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.547 -0.751 . . . . 1.86 110.328 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -154.46 148.96 26.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.261 -0.644 . . . . 1.35 109.261 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -122.96 159.25 28.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.951 0.405 . . . . 1.0 111.349 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.571 HD23 HG23 ' A' ' 86' ' ' THR . 4.2 pp -130.94 162.54 29.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.766 -0.652 . . . . 0.26 109.706 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -139.78 133.2 30.08 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.234 -0.284 . . . . 1.14 110.234 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.4 ' CD2' HD12 ' A' ' 53' ' ' ILE . 4.0 pp -136.78 161.96 34.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 0.49 111.378 -176.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -97.33 114.85 65.42 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 115.842 -0.617 . . . . 2.08 110.071 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.479 ' HB2' ' HA ' ' A' ' 27' ' ' LYS . 50.7 Cg_exo -53.66 -26.88 39.62 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.401 2.734 . . . . 0.53 113.324 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.43 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.62 111.255 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -77.34 -25.64 51.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.076 0.465 . . . . 2.92 110.817 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.598 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.9 mp -84.52 -6.67 59.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 1.3 110.777 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.49 -3.32 42.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.861 -0.609 . . . . 1.08 111.446 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -86.5 -16.59 36.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 2.04 112.156 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.63 -160.92 26.47 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 119.842 -1.171 . . . . 0.74 113.162 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -94.71 120.68 35.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.56 0.695 . . . . 2.02 110.72 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 11.6 m-85 -106.47 155.07 19.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.303 -0.862 . . . . 0.4 110.497 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.784 ' HB2' ' SD ' ' A' ' 59' ' ' MET . 40.1 mtpt -126.84 162.74 25.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.201 -0.454 . . . . 1.53 110.308 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.631 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.4 p90 -126.34 142.56 51.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.578 -0.897 . . . . 0.23 108.578 172.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.64 167.39 23.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.053 0.454 . . . . 0.19 111.785 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 19.9 t -99.88 119.36 38.08 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.061 -1.088 . . . . 0.16 108.061 173.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.4 p -86.62 5.81 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.159 0.429 . . . . 0.24 112.159 -172.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.18 125.83 89.02 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.04 -0.726 . . . . 0.26 109.04 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.84 115.1 2.11 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.829 2.353 . . . . 0.49 112.517 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.13 48.11 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.928 -0.653 . . . . 0.5 111.814 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.8 m170 -107.96 -30.04 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.008 0.373 . . . . 0.38 112.008 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.25 -16.66 67.25 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.24 -0.505 . . . . 0.61 114.084 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.71 -33.55 64.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.176 0.488 . . . . 0.83 111.388 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 66.4 tp -107.6 -42.0 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.979 0.419 . . . . 2.13 110.78 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 118' ' ' HIS . 10.4 mtm -82.01 74.92 8.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 0.65 111.129 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -150.96 143.45 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.714 -0.675 . . . . 1.13 110.242 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -155.66 -176.03 27.36 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.927 -0.579 . . . . 0.31 111.673 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.452 ' HD2' ' HG2' ' A' ' 110' ' ' LYS . 12.3 mmmm -105.77 140.71 38.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 1.48 111.916 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.3 t -107.96 111.74 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 1.11 108.688 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.4 m -99.28 124.72 44.59 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.162 -0.472 . . . . 0.97 110.934 -173.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 27' ' ' LYS . 1.4 tm? -85.12 108.03 17.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.189 -0.671 . . . . 1.44 109.189 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 23.0 m -108.53 173.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.266 -0.425 . . . . 0.6 110.731 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 2.25 111.147 179.839 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.661 0.267 . . . . 3.08 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 m -58.73 118.21 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 3.52 111.725 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.62 19.61 10.58 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.816 -0.629 . . . . 2.32 111.673 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.62 -43.97 0.23 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.65 -0.786 . . . . 1.56 111.979 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -95.09 112.22 23.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.633 0.254 . . . . 2.26 110.547 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 80.6 m -105.02 9.89 34.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.351 0.596 . . . . 0.62 109.564 174.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.76 159.92 43.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 0.32 110.366 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.9 141.38 26.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.143 -0.48 . . . . 0.27 109.958 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.2 m -111.69 119.4 38.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.991 0.424 . . . . 0.84 110.787 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.74 140.27 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.789 -0.642 . . . . 0.87 109.647 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -114.41 134.03 55.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.895 0.378 . . . . 1.98 110.783 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 p -118.96 136.68 53.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.728 -0.669 . . . . 0.97 109.507 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 39' ' ' THR . 18.6 p30 -116.35 172.19 7.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.591 0.234 . . . . 1.14 111.265 -175.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.79 -5.7 32.15 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.08 -0.509 . . . . 2.26 111.18 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.9 15.98 11.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.029 0.443 . . . . 1.59 110.866 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 87.7 mtp 58.56 61.73 2.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.173 -0.921 . . . . 1.92 112.59 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -166.76 155.82 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.991 0.424 . . . . 1.86 111.233 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -91.56 153.13 19.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.935 -1.03 . . . . 0.44 108.734 172.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -77.51 -5.19 49.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.702 0.286 . . . . 2.31 111.204 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 t -151.08 149.19 29.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 1.12 110.42 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -114.91 9.38 16.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.306 -0.406 . . . . 2.18 110.582 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.72 127.58 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 2.06 111.056 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 92.9 mt -132.92 125.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.029 -0.532 . . . . 0.32 109.743 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -107.91 124.12 49.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.113 -0.494 . . . . 1.46 110.398 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -102.71 117.13 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.878 -0.601 . . . . 0.31 109.721 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -78.75 122.87 26.57 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.175 -0.466 . . . . 1.16 110.556 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -73.77 -2.05 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.98 110.792 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.43 -4.24 58.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 0.65 110.12 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 101' ' ' PRO . 63.7 m -111.34 145.61 38.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.661 -0.7 . . . . 0.49 109.405 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.58 -27.88 19.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 3.49 110.923 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.4 127.43 31.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.392 -0.367 . . . . 2.0 110.313 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.0 t80 -124.51 122.54 37.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.601 -0.518 . . . . 0.36 109.601 178.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 82.0 m -110.52 131.26 55.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.165 -0.47 . . . . 0.32 111.247 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.02 122.89 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.111 -0.495 . . . . 0.23 109.72 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -108.62 124.47 50.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.162 -0.472 . . . . 0.28 110.608 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.07 123.03 45.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.158 -0.474 . . . . 0.2 110.298 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -110.4 109.93 20.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.651 -0.5 . . . . 2.62 109.651 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.45 91.64 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 0.29 109.511 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 13' ' ' ASN . 20.0 p -76.09 119.95 20.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.088 -0.96 . . . . 1.6 109.413 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.01 -175.02 34.61 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.711 -0.757 . . . . 1.16 111.848 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -138.54 25.93 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 1.53 111.686 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.07 146.54 32.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 2.08 111.013 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.13 149.0 51.38 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 123.115 2.544 . . . . 0.49 112.676 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.38 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.535 -0.757 . . . . 1.82 111.839 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.51 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 0.59 111.645 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -129.22 -34.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.463 -0.335 . . . . 1.51 110.914 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 42.8 tpp -118.24 48.78 1.35 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.792 0.806 . . . . 1.13 109.744 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.15 151.84 21.3 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 110.433 -1.067 . . . . 0.14 110.433 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 87.8 m-70 -132.69 148.69 52.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.587 -0.445 . . . . 0.15 110.48 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.716 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 21.0 t30 -148.17 135.63 20.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.482 -0.781 . . . . 1.48 109.19 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 tt -107.19 112.99 26.14 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.584 -0.525 . . . . 0.22 109.584 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 11.6 p -110.44 145.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 1.46 110.301 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' O ' HG12 ' A' ' 83' ' ' VAL . 28.6 mm -112.29 119.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.51 109.669 177.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.75 169.85 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.135 -0.484 . . . . 0.32 110.231 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -69.43 145.9 52.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.704 -0.225 . . . . 1.46 110.936 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.51 -54.02 38.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.869 0.366 . . . . 0.77 111.283 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.34 -14.49 62.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 2.89 111.919 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -99.89 -8.07 24.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.294 0.569 . . . . 2.15 110.117 -174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mmt -59.07 -32.65 69.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.45 -0.795 . . . . 0.78 111.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.14 -43.11 87.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 2.27 110.774 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.08 -30.82 67.17 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.744 -0.741 . . . . 0.66 111.837 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.12 -46.31 72.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.456 0.17 . . . . 0.55 110.668 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 67' ' ' VAL . 29.6 m-85 -66.76 -44.07 82.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.726 -0.215 . . . . 0.53 111.013 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.34 -54.6 44.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.764 0.316 . . . . 3.03 111.326 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.19 -16.38 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.926 0.393 . . . . 2.28 110.834 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.27 -42.73 41.47 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.718 -0.673 . . . . 0.5 112.279 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 63' ' ' PHE . 58.9 t -58.53 -29.18 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 1.04 110.922 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.89 8.22 80.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.809 -0.71 . . . . 0.53 112.703 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -124.16 53.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.043 0.449 . . . . 0.38 110.718 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -37.91 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.62 . . . . 0.62 112.001 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.05 -18.02 59.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 2.44 111.404 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 75' ' ' VAL . 2.9 m -112.48 49.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.117 0.484 . . . . 1.46 110.538 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' HA ' ' HG ' ' A' ' 88' ' ' LEU . 34.4 m-20 59.52 19.97 8.43 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.506 -0.77 . . . . 1.66 112.205 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.504 ' CD2' HD11 ' A' ' 88' ' ' LEU . 62.6 m-85 59.89 39.45 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.68 111.195 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 72' ' ' THR . 28.0 m -126.87 147.31 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.384 -0.598 . . . . 1.38 109.384 172.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' ' H ' ' A' ' 78' ' ' ASP . 59.3 tttp -68.39 126.31 92.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.443 -0.344 . . . . 2.55 110.208 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.63 -11.6 14.84 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.318 2.679 . . . . 1.92 113.562 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.437 ' H ' ' HG2' ' A' ' 76' ' ' LYS . 30.0 m-20 -88.9 109.95 20.66 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.647 -0.501 . . . . 3.52 109.647 174.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -76.78 50.4 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 3.58 111.304 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -103.5 -28.93 11.47 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.152 0.501 . . . . 1.02 110.262 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -102.16 -28.21 12.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 2.33 110.606 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -102.45 120.08 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.78 110.301 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 53' ' ' ILE . 10.7 p -91.33 -26.12 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.939 0.4 . . . . 0.91 110.199 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.45 148.07 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.36 110.459 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -156.44 151.19 25.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 1.96 110.659 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.519 HG23 HD23 ' A' ' 97' ' ' LEU . 38.0 p -88.57 -177.92 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.6 . . . . 0.5 109.819 173.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -95.83 151.69 19.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.905 -0.405 . . . . 2.85 109.905 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 74' ' ' TYR . 14.3 mt -61.0 108.68 0.91 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.365 -0.379 . . . . 1.24 110.23 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.1 pt -111.45 136.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 116.06 -0.518 . . . . 0.35 111.779 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.92 -172.77 49.03 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.403 -0.817 . . . . 0.79 111.842 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.27 122.87 28.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.958 -0.639 . . . . 0.81 112.839 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.74 2.22 63.16 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.8 112.277 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -105.15 165.99 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.8 0.333 . . . . 2.34 111.324 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -143.43 154.16 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 1.86 110.593 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 t -154.42 149.6 26.98 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.378 -0.601 . . . . 1.35 109.378 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -132.13 157.88 43.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.88 0.371 . . . . 1.0 111.254 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.519 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -138.32 156.11 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.26 109.568 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.1 m -131.8 132.39 43.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.704 -0.48 . . . . 1.14 109.704 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.26 155.41 48.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.006 0.431 . . . . 0.49 111.468 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.59 119.2 71.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 2.08 109.171 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.627 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 53.2 Cg_exo -53.31 -32.49 61.51 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.416 2.744 . . . . 0.53 113.895 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.07 -13.4 62.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.954 0.406 . . . . 0.62 111.308 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -85.13 0.55 51.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.463 . . . . 2.92 110.423 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 109' ' ' TYR . 10.9 mp -112.72 18.93 17.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 1.3 110.274 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.74 1.98 53.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.934 -0.576 . . . . 1.08 111.423 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.474 ' HB2' ' OH ' ' A' ' 109' ' ' TYR . 4.0 m-20 -86.79 19.38 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.796 0.295 . . . . 2.04 111.796 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.38 -149.23 18.58 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.145 -1.026 . . . . 0.74 113.152 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.72 121.39 29.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.988 0.423 . . . . 2.02 110.571 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 104' ' ' LEU . 7.8 m-85 -106.52 153.36 22.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.787 -0.642 . . . . 0.4 110.669 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -130.22 156.55 44.42 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.756 -0.656 . . . . 1.53 109.489 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 47.8 p90 -116.44 135.46 53.82 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.674 -1.232 . . . . 0.23 107.674 170.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.72 160.46 43.83 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.438 -0.505 . . . . 0.19 111.48 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.716 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 17.4 t -94.44 116.23 28.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.921 -1.036 . . . . 0.16 108.666 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.0 p -84.13 9.56 12.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.031 0.382 . . . . 0.24 112.031 -173.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -68.42 131.14 91.82 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.082 -0.711 . . . . 0.26 109.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.48 114.67 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.977 2.451 . . . . 0.49 112.9 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.89 -20.83 46.21 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.5 111.824 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -83.97 -40.32 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.554 0.216 . . . . 0.38 110.956 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.87 -21.0 58.07 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-N 116.22 -0.445 . . . . 0.61 113.949 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -26.44 67.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.83 111.264 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 tp -122.29 -39.78 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 2.13 111.124 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 5.8 mtm -80.16 77.88 6.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.492 . . . . 0.65 111.342 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -152.35 145.46 24.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.516 -0.765 . . . . 1.13 109.92 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.51 -171.94 15.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.043 -0.598 . . . . 0.31 111.67 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -105.27 130.04 53.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.796 0.332 . . . . 1.48 111.203 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 4.7 p -121.76 116.81 50.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.814 -0.81 . . . . 1.11 108.814 173.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.3 m -121.16 138.51 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.812 -0.631 . . . . 0.97 111.667 -170.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.39 118.82 20.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.634 -0.712 . . . . 1.44 109.172 173.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 30.1 m -119.49 163.25 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.14 0.495 . . . . 0.6 111.047 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.704 -0.68 . . . . 2.25 110.117 178.627 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.652 0.263 . . . . 3.08 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.1 t -143.08 159.26 42.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.53 0.205 . . . . 3.52 110.748 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 75.0 -19.55 0.38 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.796 0.838 . . . . 2.32 112.877 175.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.74 27.25 7.62 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.433 -0.889 . . . . 1.56 112.493 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -98.53 113.65 25.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.834 0.349 . . . . 2.26 110.683 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 62.8 m -105.98 -19.38 13.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.847 -0.615 . . . . 0.62 109.856 175.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.25 143.92 24.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.605 -0.725 . . . . 0.32 110.2 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.13 149.35 42.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.175 -0.466 . . . . 0.27 110.427 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.9 m -120.74 138.36 54.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.316 -0.402 . . . . 0.84 110.297 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.67 135.78 56.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.956 -0.566 . . . . 0.87 110.142 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 34.6 tt0 -104.42 141.79 35.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.962 -0.563 . . . . 1.98 110.604 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -125.1 136.32 53.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.759 -0.655 . . . . 0.97 109.554 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -117.3 -172.78 2.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.45 -0.341 . . . . 1.14 110.786 -174.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -84.9 9.37 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.309 . . . . 2.26 111.308 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -102.9 12.48 36.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.885 0.374 . . . . 1.59 110.426 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.3 mtt 61.59 53.87 3.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.249 -0.887 . . . . 1.92 111.735 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -152.63 157.08 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.939 0.399 . . . . 1.86 111.098 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 57.6 m-85 -101.53 154.3 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.031 -1.1 . . . . 0.44 108.031 169.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.521 ' ND2' ' HB3' ' A' ' 11' ' ' GLU . 93.8 m-20 -84.07 18.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.728 -0.389 . . . . 2.31 111.483 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -166.56 141.85 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.151 -0.477 . . . . 1.12 109.886 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -110.83 8.41 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.045 0.45 . . . . 2.18 110.244 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -134.07 128.23 33.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.834 -0.621 . . . . 2.06 111.256 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 80.7 mt -131.43 126.9 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.655 -0.702 . . . . 0.32 109.201 172.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -108.11 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.034 0.445 . . . . 1.46 110.838 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.2 t -97.77 119.26 45.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.941 -0.572 . . . . 0.31 109.67 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -85.05 117.9 24.3 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.183 -0.462 . . . . 1.16 110.547 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -69.55 -17.59 63.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.98 110.834 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 1.53 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.891 -0.595 . . . . 0.65 110.882 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 71.8 m -105.71 139.02 40.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.921 -0.582 . . . . 0.49 109.571 177.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.83 -45.61 88.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.99 -0.55 . . . . 3.49 111.007 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.41 149.48 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 2.0 109.899 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 43.0 t80 -122.02 128.57 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.674 0.273 . . . . 0.36 110.52 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 90.8 m -116.11 133.04 56.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.04 0.447 . . . . 0.32 111.309 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -117.28 130.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.993 -0.549 . . . . 0.23 109.994 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.1 m -112.96 126.12 55.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 0.28 110.866 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.6 tp -103.69 123.79 47.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.463 . . . . 0.2 109.929 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -111.84 113.44 25.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.27 -0.423 . . . . 2.62 110.537 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.59 97.19 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.163 0.506 . . . . 0.29 109.793 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -80.8 -1.37 42.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.31 -0.859 . . . . 1.6 111.446 -175.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -91.15 124.73 7.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.682 -0.77 . . . . 1.16 112.073 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 m -81.86 66.83 7.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.419 0.628 . . . . 1.53 110.763 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -135.91 140.32 33.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.528 -0.76 . . . . 2.08 109.62 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.86 150.4 88.47 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.016 2.478 . . . . 0.49 112.152 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -67.74 -18.95 65.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.82 112.108 -169.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.91 -11.82 56.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.822 0.344 . . . . 0.59 111.297 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -110.91 -49.1 3.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 1.51 110.498 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.9 tpp -137.5 62.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 1.13 109.543 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.04 153.73 22.05 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.368 -0.833 . . . . 0.14 111.184 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.446 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 90.1 m-70 -135.38 148.15 49.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.777 0.323 . . . . 0.15 110.53 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.4 p-10 -146.22 155.6 42.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 1.48 109.529 173.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 9.9 tt -116.46 111.16 19.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.681 -0.488 . . . . 0.22 109.681 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 61.3 t -110.99 135.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.56 -0.745 . . . . 1.46 110.698 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.68 122.95 71.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 116.358 -0.383 . . . . 0.51 110.871 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.504 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -146.07 167.06 24.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.824 -0.625 . . . . 0.32 110.33 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.77 142.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.061 0.458 . . . . 1.46 110.695 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.17 -26.12 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.302 -0.863 . . . . 0.77 112.415 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.5 -17.05 49.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.855 0.317 . . . . 2.89 111.855 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.446 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 16.8 m-20 -123.96 11.5 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.797 0.295 . . . . 2.15 111.797 -177.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.504 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 13.6 tpt -66.6 -37.35 84.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.381 -0.372 . . . . 0.78 111.042 -175.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 27.8 t70 -63.2 -41.0 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 2.27 110.847 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.98 -31.01 79.52 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.66 111.786 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 58' ' ' ASP . 74.4 t -62.61 -41.89 93.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.646 0.26 . . . . 0.55 110.701 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -64.39 -35.11 79.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.53 110.608 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 73.8 mmtt -63.97 -38.2 90.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 3.03 110.48 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -75.31 -36.72 61.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 2.28 110.111 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.63 65.75 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.349 -0.841 . . . . 0.5 113.257 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.27 -17.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.259 0.552 . . . . 1.04 110.869 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.02 6.9 54.39 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.811 -0.709 . . . . 0.53 112.916 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.4 58.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.38 111.667 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -13.84 62.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 0.62 110.778 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.53 -45.74 73.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.336 -0.847 . . . . 2.44 111.79 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.1 p -102.22 -89.92 0.36 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.051 0.453 . . . . 1.46 111.491 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -143.65 35.09 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 1.66 109.193 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.485 ' CD2' HD11 ' A' ' 88' ' ' LEU . 71.9 m-85 62.23 46.53 6.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.456 -0.793 . . . . 0.68 110.134 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m -149.13 131.24 5.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 114.471 -1.24 . . . . 1.38 108.709 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -75.75 132.13 75.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 119.804 -0.759 . . . . 2.55 109.927 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.76 30.6 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.299 2.666 . . . . 1.92 114.24 -172.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -88.34 -32.1 18.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.182 -0.673 . . . . 3.52 109.182 172.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 46.29 48.74 13.24 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.682 0.614 . . . . 3.58 112.323 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.46 -61.72 1.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.394 -0.367 . . . . 1.02 110.546 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 98.6 mtt180 -73.3 -22.98 60.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.353 0.597 . . . . 2.33 110.039 177.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.89 112.32 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.347 -0.842 . . . . 0.78 109.431 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.14 -39.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.171 -0.468 . . . . 0.91 110.584 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.37 152.94 31.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.956 -0.566 . . . . 0.36 110.501 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 10.8 p80 -163.18 138.43 6.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.492 -0.322 . . . . 1.96 110.748 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.518 HG23 HD23 ' A' ' 97' ' ' LEU . 68.6 p -85.97 159.06 19.73 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.756 -0.461 . . . . 0.5 109.756 174.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -81.73 153.3 26.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.23 -0.441 . . . . 2.85 109.842 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 74' ' ' TYR . 26.5 mt -59.66 129.74 43.4 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.073 -0.512 . . . . 1.24 110.895 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 23.0 pt -127.61 137.29 58.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.911 -0.586 . . . . 0.35 111.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.9 -147.98 20.54 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.48 -0.782 . . . . 0.79 112.279 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -67.28 123.46 20.69 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.131 -0.557 . . . . 0.81 112.914 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.88 20.88 77.47 Favored Glycine 0 CA--C 1.51 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.8 112.353 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 19.5 mm-40 -115.71 153.02 32.11 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.736 -0.468 . . . . 2.34 109.736 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.53 147.73 39.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.971 0.415 . . . . 1.86 110.253 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 p -133.85 150.74 51.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.087 -0.506 . . . . 1.35 109.853 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.4 p -141.58 146.46 36.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.855 0.359 . . . . 1.0 110.684 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.518 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -129.43 153.16 48.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.051 -0.522 . . . . 0.26 109.758 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.6 m -126.54 117.62 23.2 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.288 -0.634 . . . . 1.14 109.288 174.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.26 160.4 19.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.04 -0.527 . . . . 0.49 111.182 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.431 ' OD2' ' HB3' ' A' ' 102' ' ' ALA . 16.7 t70 -91.92 115.74 65.17 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.269 -0.878 . . . . 2.08 110.405 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -56.79 -24.96 58.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.977 2.451 . . . . 0.53 113.433 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' HB3' ' OD2' ' A' ' 100' ' ' ASP . . . -71.91 -24.84 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.604 0.24 . . . . 0.62 110.931 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -24.95 62.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.11 0.481 . . . . 2.92 110.156 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.518 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 54.1 mt -86.8 -0.06 55.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.492 . . . . 1.3 110.648 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.35 40.78 0.9 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.835 -0.62 . . . . 1.08 110.692 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -137.05 24.94 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 2.04 110.479 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.08 -157.36 24.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.909 -1.138 . . . . 0.74 113.591 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.07 130.18 53.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 2.02 110.01 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.518 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 36.3 m-85 -107.47 154.51 21.25 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.614 -0.721 . . . . 0.4 111.622 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -119.61 151.68 38.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.648 -0.706 . . . . 1.53 109.763 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.598 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 33.8 p90 -123.44 142.66 50.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.958 -0.756 . . . . 0.23 108.958 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.76 169.74 20.87 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.951 0.405 . . . . 0.19 111.2 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 31.3 t -98.99 126.26 44.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.37 -0.974 . . . . 0.16 108.37 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 p -100.53 12.37 37.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 0.24 111.728 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.41 137.86 97.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.035 -0.728 . . . . 0.26 109.035 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.87 114.38 1.76 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.819 2.346 . . . . 0.49 113.001 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.94 -14.57 62.64 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.496 -0.775 . . . . 0.5 111.896 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -92.42 -27.54 17.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 0.38 111.366 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.66 -15.71 54.43 Favored Glycine 0 C--N 1.33 0.236 0 CA-C-N 116.116 -0.493 . . . . 0.61 113.505 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.72 -20.45 27.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.532 -0.393 . . . . 0.83 111.422 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -109.97 -52.3 2.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.954 0.353 . . . . 2.13 111.954 -172.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.55 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 5.0 mtm -85.38 92.6 8.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.792 0.33 . . . . 0.65 111.056 -175.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -140.34 145.5 37.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.955 -0.566 . . . . 1.13 110.481 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -158.87 179.95 34.14 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.397 -0.681 . . . . 0.31 111.397 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -114.98 139.29 49.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.995 0.398 . . . . 1.48 110.797 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 2.5 p -118.22 113.96 43.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.624 0.726 . . . . 1.11 109.257 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.2 m -109.02 136.29 48.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.467 -0.788 . . . . 0.97 111.244 -170.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.9 tp -82.07 125.99 31.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.291 -0.633 . . . . 1.44 109.291 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 35.4 m -123.57 176.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.507 -0.315 . . . . 0.6 110.544 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 2.25 111.365 -179.4 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.528 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 76.5 m . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.382 0.61 . . . . 0.62 110.06 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.05 155.87 40.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.5 -0.773 . . . . 0.32 110.435 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.84 156.43 45.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.903 -0.589 . . . . 0.27 110.028 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m -126.46 123.58 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.004 0.43 . . . . 0.84 110.724 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.03 135.61 49.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.8 -0.636 . . . . 0.87 109.901 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -110.3 126.82 54.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.429 -0.35 . . . . 1.98 110.447 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.518 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 36.1 p -123.1 139.14 54.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 0.97 109.935 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.4 ' OD1' ' HG2' ' A' ' 17' ' ' GLN . 34.7 p30 -123.41 177.85 5.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.185 -0.302 . . . . 1.14 110.185 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.02 27.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.285 0.564 . . . . 2.26 110.838 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -106.42 9.47 31.73 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.409 -0.96 . . . . 1.59 108.409 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.4 ' HA ' ' HE2' ' A' ' 122' ' ' MET . 4.8 mpp? 64.7 64.39 0.67 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.157 -1.383 . . . . 1.92 111.863 175.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 3.3 pt20 -159.97 155.51 25.59 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.042 0.448 . . . . 1.86 111.725 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 29.2 m-85 -108.45 151.87 25.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.211 -0.904 . . . . 0.44 108.665 169.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -81.58 2.97 26.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.782 0.325 . . . . 2.31 111.286 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -157.23 142.79 17.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.939 -0.393 . . . . 1.12 109.939 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -114.49 4.81 15.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.462 0.649 . . . . 2.18 109.546 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -138.22 125.11 21.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.386 -0.825 . . . . 2.06 110.425 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 87.2 mt -125.6 120.96 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.216 0.531 . . . . 0.32 109.783 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.45 114.41 28.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.754 -0.657 . . . . 1.46 110.356 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.82 125.13 46.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.441 -0.8 . . . . 0.31 110.226 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -81.31 128.63 34.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.758 -0.656 . . . . 1.16 110.805 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -75.97 -1.81 27.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.98 110.539 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.27 -5.71 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 0.65 110.266 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.528 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 60.4 m -104.11 139.74 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.588 -0.733 . . . . 0.49 110.161 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -69.85 -46.15 66.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.507 -0.553 . . . . 3.49 109.507 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.47 149.9 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.371 -0.831 . . . . 2.0 109.122 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -120.68 128.19 52.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.965 -0.383 . . . . 0.36 109.965 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 38.2 m -103.26 133.0 49.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.267 -0.424 . . . . 0.32 110.746 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -121.17 120.67 62.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 109.869 -0.419 . . . . 0.23 109.869 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -106.61 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.012 -0.54 . . . . 0.28 110.313 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -103.76 128.77 51.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.215 -0.448 . . . . 0.2 109.83 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -121.78 115.37 22.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.8 -0.444 . . . . 2.62 109.8 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.3 t60 -88.03 92.29 9.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.224 0.535 . . . . 0.29 109.893 -178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.4 p -85.06 77.18 10.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 1.6 110.864 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.26 -162.58 10.96 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.614 -0.721 . . . . 1.16 111.697 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -127.01 1.67 6.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 1.53 111.366 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -95.9 134.65 23.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.967 0.413 . . . . 2.08 111.545 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.95 159.17 51.03 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.328 2.686 . . . . 0.49 111.996 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -61.89 -24.55 67.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.367 -0.833 . . . . 1.82 112.867 -169.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.68 43.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.845 0.355 . . . . 0.59 111.598 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -102.56 -45.04 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 1.51 110.038 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.5 tpp -144.93 73.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 1.13 109.436 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.66 150.33 19.82 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.357 -0.838 . . . . 0.14 111.784 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.457 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 81.3 m-70 -132.71 149.03 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.816 -0.354 . . . . 0.15 110.606 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -141.54 166.48 24.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.969 -0.752 . . . . 1.48 108.969 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -126.48 110.61 13.48 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.382 -0.599 . . . . 0.22 109.382 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 64.5 t -111.87 130.05 66.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.454 -0.794 . . . . 1.46 110.478 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -109.57 122.21 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 0.51 110.105 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.511 ' CB ' HG21 ' A' ' 62' ' ' VAL . . . -147.26 165.57 29.69 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.723 -0.671 . . . . 0.32 110.974 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -69.29 126.15 28.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.256 -0.884 . . . . 1.46 109.279 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 59' ' ' MET . . . -56.9 -36.48 70.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.523 -0.762 . . . . 0.77 112.267 -171.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.98 -25.01 68.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 2.89 110.911 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.34 4.75 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 2.15 110.864 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 8.4 tpt -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.78 111.152 -172.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.16 -44.66 96.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 2.27 110.927 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.2 -28.09 73.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.859 -0.686 . . . . 0.66 111.627 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.511 HG21 ' CB ' ' A' ' 54' ' ' ALA . 75.7 t -67.99 -49.91 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.256 . . . . 0.55 110.659 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 67' ' ' VAL . 57.0 m-85 -61.89 -43.06 99.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 0.53 110.555 176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.95 -48.03 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.76 -0.654 . . . . 3.03 110.833 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.03 -24.96 60.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 2.28 110.437 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.36 90.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.987 -0.625 . . . . 0.5 112.205 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 63' ' ' PHE . 76.5 t -63.54 -33.9 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.046 0.451 . . . . 1.04 110.809 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.97 -12.77 83.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.803 -0.713 . . . . 0.53 112.39 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.464 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -106.85 47.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 0.38 110.617 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.12 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.658 . . . . 0.62 111.643 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -70.42 -22.2 62.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 2.44 111.462 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.464 ' OG1' ' HB1' ' A' ' 69' ' ' ALA . 21.7 p -111.82 49.18 0.91 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.73 0.3 . . . . 1.46 111.395 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.93 26.9 16.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.914 -0.585 . . . . 1.66 111.835 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 62.45 25.93 15.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.602 -0.726 . . . . 0.68 111.67 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 108.996 -0.742 . . . . 1.38 108.996 172.403 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 108.502 -0.925 . . . . 2.33 108.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.8 132.68 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.456 -1.247 . . . . 0.78 109.523 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 81.9 t -88.44 -40.28 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.478 -0.328 . . . . 0.91 110.52 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.6 153.41 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.188 -0.46 . . . . 0.36 110.74 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -154.92 138.07 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.323 -0.399 . . . . 1.96 111.098 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.56 HG23 HD23 ' A' ' 97' ' ' LEU . 72.1 p -92.72 178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.412 -0.588 . . . . 0.5 109.412 173.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -97.18 173.79 7.06 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.537 -0.542 . . . . 2.85 109.537 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -77.37 127.04 31.88 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.342 -0.614 . . . . 1.24 109.342 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.15 139.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.037 0.446 . . . . 0.35 111.455 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.11 -168.87 39.25 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.79 112.198 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.99 103.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.236 -0.506 . . . . 0.81 112.856 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.98 -23.1 10.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.001 -0.619 . . . . 0.8 111.95 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -82.09 166.09 20.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.971 0.415 . . . . 2.34 110.708 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.93 154.95 43.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 1.86 110.339 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -144.27 159.65 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.913 -0.773 . . . . 1.35 108.913 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.0 p -143.75 160.5 40.62 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.796 0.331 . . . . 1.0 110.941 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.56 HD23 HG23 ' A' ' 86' ' ' THR . 4.1 pp -142.47 161.4 38.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 0.26 110.235 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.32 126.45 35.35 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.962 -0.563 . . . . 1.14 110.052 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 3.6 pp -126.07 156.46 39.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.939 0.399 . . . . 0.49 111.108 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.24 108.86 29.39 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.337 -0.847 . . . . 2.08 109.999 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 99' ' ' LEU . 45.4 Cg_exo -54.45 -35.0 83.78 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.298 2.665 . . . . 0.53 113.19 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.12 -11.27 60.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.813 0.34 . . . . 0.62 111.481 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -89.89 -7.3 54.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.311 0.577 . . . . 2.92 110.279 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 58.9 mt -88.28 4.72 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 1.3 110.847 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.53 2.96 42.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.295 -0.411 . . . . 1.08 111.405 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.5 -22.15 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.453 -0.339 . . . . 2.04 111.74 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 159.63 -140.9 7.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.055 -1.069 . . . . 0.74 112.779 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -91.96 122.78 34.8 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.02 110.439 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.036 -0.529 . . . . 0.4 111.146 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -130.22 153.69 48.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.059 -0.519 . . . . 1.53 110.259 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 43.5 p90 -115.75 144.04 44.53 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.233 -1.025 . . . . 0.23 108.233 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.82 163.28 29.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.08 0.467 . . . . 0.19 111.827 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 27.7 t -93.5 120.21 33.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.863 -1.062 . . . . 0.16 108.652 173.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.7 p -89.2 17.84 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 0.24 111.72 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -75.29 123.5 88.74 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.751 -0.833 . . . . 0.26 108.751 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.28 116.78 3.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.748 2.299 . . . . 0.49 112.46 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.4 -11.95 51.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.085 -0.579 . . . . 0.5 112.199 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -98.95 -39.12 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.67 0.248 . . . . 0.38 111.67 -178.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.63 -23.96 59.15 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.399 0.52 . . . . 0.61 114.399 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.14 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.991 0.396 . . . . 0.83 111.51 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -121.03 -36.59 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 2.13 110.436 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.452 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 30.9 mtt -86.82 72.52 10.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 0.65 110.848 -174.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -154.03 155.57 35.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 1.13 109.65 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -151.78 -150.88 5.46 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.346 -0.93 . . . . 0.31 112.432 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -118.73 134.85 54.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.308 -0.256 . . . . 1.48 110.308 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -127.28 120.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.45 0.643 . . . . 1.11 109.304 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -125.44 141.0 52.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.705 -0.68 . . . . 0.97 111.577 -169.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.86 123.96 29.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.508 -0.553 . . . . 1.44 109.508 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.09 162.51 29.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.251 0.548 . . . . 0.6 111.335 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.343 -0.844 . . . . 2.25 109.78 177.87 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.563 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 85.1 m . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.358 0.599 . . . . 0.62 109.97 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.34 158.95 44.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.583 -0.735 . . . . 0.32 110.199 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.49 142.8 26.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.088 -0.506 . . . . 0.27 110.378 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t -112.85 126.22 55.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.195 0.522 . . . . 0.84 110.01 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.24 121.79 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.629 -0.714 . . . . 0.87 109.946 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -90.31 143.23 26.95 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.539 -0.541 . . . . 1.98 109.539 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 p -128.62 135.86 49.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.408 -0.59 . . . . 0.97 109.408 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -124.27 -166.21 1.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.912 0.387 . . . . 1.14 111.685 -171.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.53 -21.89 55.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 2.26 111.472 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.39 15.48 0.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.576 0.584 . . . . 1.59 112.576 -171.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.447 ' CA ' ' HE2' ' A' ' 122' ' ' MET . 65.9 mtt 58.31 51.45 8.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.238 -0.437 . . . . 1.92 111.158 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -148.26 152.77 37.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.364 0.602 . . . . 1.86 111.96 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -93.18 151.82 19.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.766 -1.106 . . . . 0.44 108.17 164.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 7.59 14.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.762 0.315 . . . . 2.31 110.756 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 p -138.51 134.0 33.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.059 -0.518 . . . . 1.12 111.317 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -105.88 -11.78 16.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 2.18 109.872 169.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -141.05 139.23 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.855 . . . . 2.06 109.572 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.1 mt -122.56 127.15 74.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.451 -0.574 . . . . 0.32 109.451 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -97.79 106.03 18.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.144 0.497 . . . . 1.46 110.975 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.1 t -96.8 119.01 44.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.568 -0.742 . . . . 0.31 109.883 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -79.81 125.92 30.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.254 -0.43 . . . . 1.16 110.743 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -79.93 1.79 25.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.98 110.556 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.16 -6.63 59.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.65 110.143 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.563 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 61.6 m -104.74 154.36 20.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.593 -0.73 . . . . 0.49 109.781 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -89.34 -31.45 17.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.092 0.472 . . . . 3.49 110.11 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.03 131.26 34.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.939 -0.573 . . . . 2.0 109.82 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -111.77 127.67 55.87 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.239 -0.652 . . . . 0.36 109.239 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 26.3 m -106.9 124.52 49.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.39 -0.368 . . . . 0.32 111.143 -175.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 96' ' ' SER . 67.6 mt -111.91 122.08 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.45 -0.341 . . . . 0.23 110.103 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 m -108.58 127.53 54.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.051 -0.522 . . . . 0.28 110.391 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.9 tp -103.3 128.96 50.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.149 -0.478 . . . . 0.2 109.889 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -117.81 108.26 15.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.37 -0.377 . . . . 2.62 110.211 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.75 92.48 5.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.29 109.886 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.2 p -74.89 -36.29 62.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.501 -0.772 . . . . 1.6 111.967 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.3 127.2 38.72 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.84 -0.618 . . . . 1.16 112.799 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 p -75.08 59.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.143 0.497 . . . . 1.53 111.698 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' MET . 19.6 mm-40 -121.95 132.07 24.31 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.916 -0.584 . . . . 2.08 110.241 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.69 145.66 91.47 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.699 2.266 . . . . 0.49 111.68 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -67.77 -19.47 65.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.989 -0.55 . . . . 1.82 112.048 -171.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.31 59.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 0.59 111.049 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -112.57 -51.77 2.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.314 -0.403 . . . . 1.51 110.813 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 45.0 tpp -134.18 64.92 1.59 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.298 0.571 . . . . 1.13 109.768 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.8 152.99 22.79 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 110.65 -0.98 . . . . 0.14 110.65 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 83.7 m-70 -133.2 146.61 51.66 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.59 -0.444 . . . . 0.15 110.387 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.1 p-10 -144.53 152.88 41.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.111 -0.7 . . . . 1.48 109.111 173.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 tt -115.57 112.06 21.62 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.564 -0.532 . . . . 0.22 109.564 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.624 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 5.9 m -111.46 146.29 16.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.604 -0.726 . . . . 1.46 110.307 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.3 mt -119.59 116.69 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.588 -0.523 . . . . 0.51 109.588 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -140.92 167.79 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.462 -0.79 . . . . 0.32 110.592 -174.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -74.54 131.75 41.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.711 -0.677 . . . . 1.46 110.098 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.92 61.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.749 . . . . 0.77 112.123 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -26.81 64.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 2.89 111.521 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 62' ' ' VAL . 1.3 m-20 -119.45 17.91 12.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.51 -0.314 . . . . 2.15 110.739 -175.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 9.0 tpt -66.17 -41.25 90.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.78 111.435 -172.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.53 -36.67 84.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 2.27 110.468 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.19 77.17 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.62 -0.718 . . . . 0.66 111.868 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 58' ' ' ASP . 96.7 t -64.32 -43.97 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.828 0.347 . . . . 0.55 110.524 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -69.75 -35.95 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.53 110.292 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.16 -47.0 78.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 3.03 110.774 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.19 -17.85 56.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 2.28 111.076 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.62 -33.98 67.19 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.108 -0.568 . . . . 0.5 112.658 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.96 -32.26 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.108 0.48 . . . . 1.04 110.884 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -88.08 10.44 70.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 0.53 112.726 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -123.51 39.01 4.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 0.38 110.835 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 0.62 111.852 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -77.81 -20.42 53.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.286 -0.415 . . . . 2.44 111.577 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 m -94.87 -76.3 0.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.95 -0.3 . . . . 1.46 110.79 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -168.18 26.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.129 0.49 . . . . 1.66 109.984 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 62.95 26.91 15.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.296 -0.865 . . . . 0.68 110.934 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.133 -0.939 . . . . 1.38 108.624 171.195 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.349 0.595 . . . . 2.33 110.047 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.53 129.97 44.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.335 -0.848 . . . . 0.78 110.287 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.38 -43.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.912 -0.585 . . . . 0.91 110.191 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.03 149.26 31.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.875 -0.602 . . . . 0.36 110.168 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -157.57 137.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.755 0.312 . . . . 1.96 110.985 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 HD23 ' A' ' 97' ' ' LEU . 71.5 p -83.89 158.94 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.794 -0.639 . . . . 0.5 109.911 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -66.08 149.5 50.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.099 -0.334 . . . . 2.85 110.099 174.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.62 103.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.9 -0.778 . . . . 1.24 108.9 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.9 pt -101.73 145.98 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.328 0.585 . . . . 0.35 112.152 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.2 -157.59 31.65 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.054 -0.975 . . . . 0.79 111.942 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.22 125.02 8.59 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.028 -0.606 . . . . 0.81 113.02 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.18 0.45 77.16 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.031 -0.604 . . . . 0.8 112.492 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.9 167.19 10.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.696 0.284 . . . . 2.34 110.424 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -149.32 157.56 43.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.078 -0.51 . . . . 1.86 110.567 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.5 t -151.88 159.59 43.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.494 -0.558 . . . . 1.35 109.494 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 36.2 m -137.71 155.59 48.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.677 0.275 . . . . 1.0 111.121 -177.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.566 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -134.15 159.41 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.167 -0.469 . . . . 0.26 109.997 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -130.6 141.11 50.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.306 -0.406 . . . . 1.14 110.32 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 pp -144.94 161.64 38.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.42 -0.355 . . . . 0.49 110.847 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.58 121.44 64.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 2.08 109.976 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.474 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 31.9 Cg_exo -58.41 -25.97 75.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.054 2.503 . . . . 0.53 113.619 -177.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.54 61.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.086 0.469 . . . . 0.62 110.795 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -78.55 -21.18 49.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 2.92 110.173 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 48.7 mt -85.56 -5.82 59.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.541 . . . . 1.3 110.827 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.58 2.38 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 1.08 110.76 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -98.9 -10.22 23.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 2.04 111.165 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.32 -173.55 30.1 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 119.935 -1.126 . . . . 0.74 113.237 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -109.76 111.36 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.888 -0.782 . . . . 2.02 108.888 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.589 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 79.4 m-85 -105.28 146.63 29.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.665 0.745 . . . . 0.4 112.273 -169.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.77 152.89 34.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.754 -1.112 . . . . 1.53 109.456 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.624 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.6 p90 -115.81 139.37 50.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.385 -0.969 . . . . 0.23 108.385 170.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.36 168.63 25.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.147 0.499 . . . . 0.19 111.832 -174.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 20.1 t -100.11 123.26 44.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.794 -1.094 . . . . 0.16 108.257 173.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.0 p -95.56 13.21 26.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.913 0.387 . . . . 0.24 111.552 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.59 134.28 95.96 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.083 -0.71 . . . . 0.26 109.083 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.98 110.48 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.793 2.329 . . . . 0.49 112.642 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.43 -8.76 52.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.779 -0.724 . . . . 0.5 112.316 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -103.07 -20.03 14.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.696 -0.297 . . . . 0.38 111.239 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.09 95.6 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.665 0.626 . . . . 0.61 114.665 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -12.41 56.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.295 0.547 . . . . 0.83 111.204 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 tp -105.58 -48.77 3.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.011 0.434 . . . . 2.13 111.131 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.447 ' HE2' ' CA ' ' A' ' 16' ' ' MET . 36.3 mtt -93.64 81.71 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.239 -0.437 . . . . 0.65 110.416 -173.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -151.15 158.19 43.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.722 -0.672 . . . . 1.13 110.834 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.14 -168.99 23.79 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.252 -0.885 . . . . 0.31 110.9 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.84 141.37 38.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.305 0.553 . . . . 1.48 111.624 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.1 108.74 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 1.11 109.459 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.3 m -95.34 112.51 24.21 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.088 -0.506 . . . . 0.97 111.327 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.7 tp -77.72 119.55 21.4 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.655 -0.868 . . . . 1.44 108.655 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.79 157.66 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.085 0.469 . . . . 0.6 111.127 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.499 -0.773 . . . . 2.25 110.355 178.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.8 m . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.026 0.441 . . . . 0.62 110.97 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -154.87 146.35 23.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 0.32 110.482 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.97 143.02 29.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.524 -0.307 . . . . 0.27 110.5 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 m -106.81 130.61 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.0 0.429 . . . . 0.84 110.628 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 64.2 t -120.46 133.58 66.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.869 -0.605 . . . . 0.87 109.38 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HG2' ' HB2' ' A' ' 37' ' ' LYS . 41.3 mt-10 -106.4 142.35 36.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.5 . . . . 1.98 110.765 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 7.9 p -122.79 137.11 55.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.168 -0.924 . . . . 0.97 108.808 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -123.22 -178.22 3.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.928 0.394 . . . . 1.14 111.227 -172.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.562 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 8.6 p-10 -76.63 2.4 14.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 2.26 111.607 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.92 5.75 43.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.922 -0.399 . . . . 1.59 109.922 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtm 61.87 42.9 9.87 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.392 -0.822 . . . . 1.92 111.284 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -134.22 126.25 29.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 1.86 111.424 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 25.8 m-85 -74.23 146.1 43.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.44 109.986 174.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.413 ' OD1' ' HB2' ' A' ' 11' ' ' GLU . 6.9 m-20 -58.97 -29.37 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 2.31 111.348 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -144.45 152.0 40.01 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.243 -0.435 . . . . 1.12 110.404 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -117.03 11.96 14.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.332 0.587 . . . . 2.18 110.018 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.1 t70 -143.56 129.15 19.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.55 -0.75 . . . . 2.06 110.169 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.6 mt -124.42 126.82 72.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.182 -0.463 . . . . 0.32 109.834 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -95.63 108.48 20.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.069 0.462 . . . . 1.46 110.711 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -95.78 118.8 42.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.792 -0.64 . . . . 0.31 109.699 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.622 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 16.6 t -77.07 120.23 21.87 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.949 -0.569 . . . . 1.16 110.153 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -72.31 -10.56 59.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 0.98 110.301 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.83 -10.11 58.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 0.65 110.423 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' A' ' 26' ' ' SER . 99.0 m -88.17 148.2 24.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.49 109.866 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -82.06 -27.59 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.172 -0.467 . . . . 3.49 110.438 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -155.55 149.73 25.73 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.429 -0.582 . . . . 2.0 109.429 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -127.65 125.11 39.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.889 -0.412 . . . . 0.36 109.889 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 86.9 m -109.17 130.84 55.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.211 0.529 . . . . 0.32 111.161 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.4 mt -115.92 124.5 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 0.23 110.039 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -107.2 124.15 49.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.072 -0.513 . . . . 0.28 110.469 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 29.2 tp -102.87 128.17 49.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.362 -0.381 . . . . 0.2 110.263 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 34.2 mmtp -115.66 112.74 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 2.62 109.96 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.7 94.37 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.16 0.505 . . . . 0.29 110.229 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -78.85 145.94 33.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.416 -0.811 . . . . 1.6 109.232 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.13 170.99 12.69 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.443 -0.663 . . . . 1.16 111.443 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.9 p -119.01 20.55 12.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.959 0.409 . . . . 1.53 111.865 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -97.61 127.36 37.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.468 -0.333 . . . . 2.08 110.582 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.01 165.45 32.34 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.732 2.288 . . . . 0.49 112.353 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -53.61 -42.44 67.71 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.533 0.568 . . . . 1.82 112.533 -171.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.16 -20.84 64.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.328 . . . . 0.59 111.806 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -93.8 -42.39 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 1.51 110.317 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.562 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 51.7 ttm -164.87 83.18 0.38 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.275 0.559 . . . . 1.13 110.638 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.82 156.22 21.39 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.133 -0.787 . . . . 0.14 111.133 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 84.5 m-70 -135.75 154.99 51.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.808 0.337 . . . . 0.15 110.653 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -146.27 169.07 19.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 1.48 109.243 169.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tt -123.93 109.73 13.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.0 -0.741 . . . . 0.22 109.0 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 71.5 t -114.44 130.62 68.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.367 -0.833 . . . . 1.46 110.614 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -112.44 118.6 58.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.113 -0.494 . . . . 0.51 109.818 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -142.6 165.14 28.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 0.32 111.052 -176.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -62.84 128.6 36.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.481 -0.781 . . . . 1.46 109.884 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.74 66.03 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.458 0.54 . . . . 0.77 112.458 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.76 -12.12 59.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.729 0.299 . . . . 2.89 111.167 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 12.1 m-20 -123.06 9.02 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 2.15 110.403 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.654 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 11.5 tpt -68.17 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.852 -0.613 . . . . 0.78 110.456 -173.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.4 t70 -60.33 -39.34 86.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 2.27 110.356 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.5 74.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.66 112.3 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -72.01 -35.56 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.809 0.338 . . . . 0.55 110.573 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.51 -50.06 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.53 111.249 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 11.7 ptmm? -64.18 -46.88 82.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.535 -0.302 . . . . 3.03 111.679 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.06 -14.76 58.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.9 0.381 . . . . 2.28 110.386 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.87 -30.79 72.42 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.915 -0.584 . . . . 0.5 111.932 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.9 -36.82 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.087 0.47 . . . . 1.04 110.409 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.33 4.29 73.14 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.935 -0.65 . . . . 0.53 112.355 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -112.76 34.44 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.187 0.518 . . . . 0.38 110.403 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.99 69.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.719 -0.673 . . . . 0.62 111.575 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.17 3.2 36.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 2.44 111.461 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 t -145.01 54.7 1.22 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.418 0.628 . . . . 1.46 111.183 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 66.47 20.04 10.9 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.426 -0.807 . . . . 1.66 112.899 171.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 59.67 30.25 19.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.0 0.428 . . . . 0.68 111.489 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 m . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.096 -0.502 . . . . 1.38 109.924 175.382 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.472 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 38.3 mtt180 . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 108.577 -0.897 . . . . 2.33 108.577 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.98 139.38 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.479 -1.237 . . . . 0.78 109.927 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -101.03 -41.12 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.91 110.682 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.38 146.79 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.135 -0.484 . . . . 0.36 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -154.55 140.06 17.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 1.96 110.941 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 HD23 ' A' ' 97' ' ' LEU . 71.0 p -86.28 170.21 12.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.5 110.327 177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -73.43 153.12 40.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.207 -0.664 . . . . 2.85 109.207 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 88' ' ' LEU . 2.2 tm? -73.27 110.51 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.23 -1.026 . . . . 1.24 108.23 177.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.507 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 30.5 pt -112.89 138.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.015 -0.539 . . . . 0.35 111.841 -172.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -91.56 -169.72 41.78 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.629 -0.714 . . . . 0.79 111.752 176.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.8 121.46 23.58 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.931 -0.652 . . . . 0.81 112.348 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.12 8.34 57.88 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.825 -0.702 . . . . 0.8 112.318 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 37.2 mt-10 -109.3 161.25 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 2.34 110.859 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -143.83 148.56 35.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.86 110.235 175.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 t -149.04 152.54 36.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 1.35 109.308 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.0 m -135.25 157.28 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 1.0 110.975 -175.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.566 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -138.46 158.31 44.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.26 110.089 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.8 m -126.71 126.3 43.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.464 -0.569 . . . . 1.14 109.464 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.82 159.74 23.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.988 0.423 . . . . 0.49 111.384 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -98.61 122.22 54.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.5 -0.773 . . . . 2.08 110.317 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 34.9 Cg_exo -60.51 -30.88 91.64 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.108 2.539 . . . . 0.53 113.271 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.98 -32.97 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.618 0.247 . . . . 0.62 110.593 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.83 -35.44 81.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 2.92 110.351 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 41.3 mt -79.93 -10.01 59.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 1.3 110.534 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.85 -7.27 58.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.611 . . . . 1.08 110.836 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -94.31 23.57 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 2.04 111.604 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.29 -169.85 38.52 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.847 -0.692 . . . . 0.74 111.715 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -108.55 119.83 40.65 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.784 -0.45 . . . . 2.02 109.784 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 58.5 m-85 -107.7 159.07 16.75 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.362 0.601 . . . . 0.4 112.383 -173.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -125.29 158.44 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.212 -0.903 . . . . 1.53 109.282 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.503 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 21.6 p90 -123.05 142.73 50.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.716 -0.846 . . . . 0.23 108.716 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.59 171.22 14.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.083 0.468 . . . . 0.19 112.021 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.2 t -98.54 122.34 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.98 -1.009 . . . . 0.16 108.568 173.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.2 p -92.95 11.5 27.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.15 0.426 . . . . 0.24 112.15 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.57 137.29 97.09 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.821 -0.807 . . . . 0.26 108.821 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.98 118.35 5.05 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.443 2.095 . . . . 0.49 112.51 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.87 5.33 74.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.472 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.48 -19.51 13.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.928 0.344 . . . . 0.38 111.928 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.71 -27.44 73.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.111 -0.566 . . . . 0.61 114.402 -170.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.86 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.355 0.577 . . . . 0.83 111.612 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.2 tp -96.29 -39.2 9.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.964 0.411 . . . . 2.13 110.892 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.435 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 10.4 mtm -97.97 83.65 3.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.273 -0.421 . . . . 0.65 111.283 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -152.79 158.19 41.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.702 -0.681 . . . . 1.13 110.007 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.18 -170.8 31.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.85 -0.69 . . . . 0.31 112.318 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 16.4 tppt? -108.18 131.87 54.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.106 0.479 . . . . 1.48 111.491 -175.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.14 119.44 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.545 -0.909 . . . . 1.11 108.545 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 26.1 m -108.62 138.63 44.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.925 -0.579 . . . . 0.97 111.418 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 104' ' ' LEU . 4.4 mm? -89.3 118.75 29.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 1.44 109.996 176.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 32.7 m -121.28 159.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 0.6 110.326 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.258 -0.428 . . . . 2.25 110.6 -178.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 63.0 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.346 0.594 . . . . 0.62 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.4 148.31 28.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.843 -0.617 . . . . 0.32 110.157 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.98 141.9 28.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.411 -0.359 . . . . 0.27 110.456 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 m -108.5 129.47 55.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.14 0.495 . . . . 0.84 110.535 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 92.5 t -120.07 126.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.631 -0.713 . . . . 0.87 109.742 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.04 145.57 31.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.916 0.389 . . . . 1.98 110.768 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 23.0 t -132.37 137.03 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.099 -1.074 . . . . 0.97 108.099 172.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -121.46 -166.96 1.43 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.285 0.476 . . . . 1.14 112.285 -168.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.611 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 11.5 p-10 -75.35 -19.66 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.579 -0.737 . . . . 2.26 111.683 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.71 7.56 12.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.485 0.66 . . . . 1.59 110.083 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.429 ' HB3' ' HE2' ' A' ' 122' ' ' MET . 65.6 mtt 62.53 59.49 1.5 Allowed 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 114.805 -1.089 . . . . 1.92 111.557 174.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.55 150.55 19.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.996 -0.547 . . . . 1.86 110.985 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -83.87 143.05 30.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.567 -0.742 . . . . 0.44 109.311 170.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -68.12 -20.26 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 2.31 111.286 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -132.92 145.63 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.327 . . . . 1.12 110.206 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -108.59 -6.87 15.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.346 0.593 . . . . 2.18 110.309 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -137.66 130.09 29.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.094 -0.503 . . . . 2.06 110.78 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.82 131.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.109 -0.496 . . . . 0.32 110.2 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -107.97 126.06 52.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.968 -0.56 . . . . 1.46 110.358 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.0 t -108.08 122.74 62.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.588 -0.733 . . . . 0.31 109.952 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.5 t -77.91 122.45 25.51 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.134 0.492 . . . . 1.16 111.005 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -69.54 -20.17 63.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.494 -0.775 . . . . 0.98 110.079 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.14 -10.68 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.684 -0.689 . . . . 0.65 110.827 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.665 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 88.4 m -95.81 142.53 27.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.972 -0.558 . . . . 0.49 109.858 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -78.33 -46.37 20.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.148 -0.478 . . . . 3.49 110.242 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -123.46 130.19 52.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.718 -0.475 . . . . 2.0 109.718 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 38.3 t80 -119.46 116.56 26.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.36 109.515 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 67.5 m -111.03 130.4 55.61 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.908 -0.587 . . . . 0.32 110.936 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.05 124.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.944 -0.571 . . . . 0.23 110.151 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -103.85 124.01 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.282 -0.417 . . . . 0.28 110.694 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 33.3 tp -99.91 130.75 46.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.554 . . . . 0.2 109.584 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.88 116.7 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.069 0.461 . . . . 2.62 110.064 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.4 t60 -100.71 98.92 9.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.107 0.479 . . . . 0.29 110.526 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -81.86 146.17 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.609 -0.723 . . . . 1.6 109.445 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.55 166.0 10.88 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.095 -0.802 . . . . 1.16 111.095 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.0 p -111.78 20.18 17.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.212 0.506 . . . . 1.53 110.972 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -99.34 133.58 21.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.128 -0.487 . . . . 2.08 110.958 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.66 158.22 57.86 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.356 2.704 . . . . 0.49 112.319 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -71.85 -15.74 62.13 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.753 -0.658 . . . . 1.82 111.936 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.89 61.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.853 0.358 . . . . 0.59 111.153 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 p -112.14 -51.33 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 1.51 110.873 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.611 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 50.6 ttm -126.46 67.17 1.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.524 0.678 . . . . 1.13 110.168 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.03 153.08 21.0 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 110.995 -0.842 . . . . 0.14 110.995 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.459 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 87.6 m-70 -134.9 150.35 50.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.59 -0.444 . . . . 0.15 110.947 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -142.4 169.72 17.05 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 1.48 108.823 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 tt -132.28 112.39 12.19 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.426 -0.583 . . . . 0.22 109.426 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.8 m -110.33 149.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.717 -0.674 . . . . 1.46 110.273 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -124.31 118.92 55.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.835 -0.432 . . . . 0.51 109.835 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -147.62 177.43 9.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.677 . . . . 0.32 111.21 -174.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -66.35 128.97 38.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.751 -0.659 . . . . 1.46 110.475 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB2' ' HG3' ' A' ' 110' ' ' LYS . . . -61.41 -31.06 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 0.77 112.282 -176.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.83 -13.34 59.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.406 -0.361 . . . . 2.89 111.811 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -122.76 14.95 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.576 0.703 . . . . 2.15 109.447 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 9.5 tpt -65.24 -34.42 78.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.272 -0.876 . . . . 0.78 110.984 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.22 -38.45 89.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 2.27 110.456 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.94 -31.12 79.89 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.732 -0.667 . . . . 0.66 111.611 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.22 -40.81 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.55 110.276 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -72.86 -30.33 63.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.53 110.754 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -72.0 -49.18 39.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 3.03 110.747 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.16 -16.33 59.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.17 -0.468 . . . . 2.28 110.713 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.08 -48.26 33.37 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.966 -0.561 . . . . 0.5 112.762 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -61.93 -30.22 48.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 1.04 110.913 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.22 14.83 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.53 112.548 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.439 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -127.02 51.03 1.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.202 0.525 . . . . 0.38 110.38 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.815 -0.63 . . . . 0.62 111.946 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.14 -0.18 30.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.712 0.292 . . . . 2.44 111.494 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 75' ' ' VAL . 19.0 p -128.19 44.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.739 0.304 . . . . 1.46 111.033 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 59.6 26.91 16.01 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.841 -0.618 . . . . 1.66 112.043 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CD2' HD11 ' A' ' 88' ' ' LEU . 42.4 m-85 62.43 31.89 16.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.68 111.537 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 72' ' ' THR . 13.5 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 1.38 110.222 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 121.209 0.528 . . . . 2.33 109.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.4 t -94.55 126.02 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.573 -0.74 . . . . 0.78 110.624 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.96 -44.06 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 0.91 110.087 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.14 156.62 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.36 110.179 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -158.2 152.9 24.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.665 0.269 . . . . 1.96 110.605 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.505 HG23 HD23 ' A' ' 97' ' ' LEU . 67.1 p -95.41 -179.16 4.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.195 -0.669 . . . . 0.5 109.195 169.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -99.7 168.52 9.87 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.519 -0.549 . . . . 2.85 109.519 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.545 HD11 ' CD2' ' A' ' 74' ' ' TYR . 24.0 mt -71.65 120.73 17.66 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.723 0.297 . . . . 1.24 110.659 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 28.7 pt -120.94 142.31 37.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.11 -0.495 . . . . 0.35 110.836 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.89 -168.17 30.75 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.79 111.691 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.6 116.93 9.23 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.785 -0.721 . . . . 0.81 111.996 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 99.23 20.52 17.75 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.779 -0.724 . . . . 0.8 112.283 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 49.9 mt-10 -129.88 157.1 43.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.868 0.366 . . . . 2.34 110.981 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -131.18 152.94 49.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 1.86 109.833 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.1 p -142.33 169.38 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 1.35 109.803 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -151.36 156.64 41.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 1.0 111.58 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.505 HD23 HG23 ' A' ' 86' ' ' THR . 4.5 pp -138.16 158.93 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.582 -0.735 . . . . 0.26 109.406 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.4 m -135.47 132.34 37.27 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.43 -0.581 . . . . 1.14 109.43 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.41 157.63 42.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.06 0.457 . . . . 0.49 111.101 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.32 115.41 64.02 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.266 -0.879 . . . . 2.08 109.417 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.592 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 50.6 Cg_exo -53.54 -30.77 56.01 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.172 2.581 . . . . 0.53 113.685 -176.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.44 -17.76 64.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 0.62 111.293 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -80.15 -11.68 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 2.92 110.584 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.424 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 55.6 mt -94.47 3.48 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 1.3 110.939 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.64 39.64 1.04 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.052 -0.522 . . . . 1.08 110.482 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.56 12.18 6.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 2.04 111.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.14 -168.45 25.09 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.248 -0.977 . . . . 0.74 112.58 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.97 123.39 33.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.986 -0.375 . . . . 2.02 109.986 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 57.7 m-85 -106.26 153.28 22.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.4 111.294 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HG3' ' HB2' ' A' ' 56' ' ' ALA . 48.1 mtpt -124.51 156.66 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.977 -0.556 . . . . 1.53 110.275 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.626 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 40.3 p90 -115.79 145.6 42.68 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.387 -0.968 . . . . 0.23 108.387 170.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.24 165.05 29.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.276 0.473 . . . . 0.19 112.276 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.7 t -99.94 119.79 38.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.808 -1.087 . . . . 0.16 108.233 172.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.2 p -90.33 16.77 8.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 0.24 111.825 -174.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -70.45 137.86 86.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.242 -0.651 . . . . 0.26 109.242 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 113.52 1.19 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.893 2.396 . . . . 0.49 112.973 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 95.57 -7.05 68.21 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.5 112.469 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -100.35 -29.57 12.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.734 -0.274 . . . . 0.38 111.421 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 113' ' ' CYS . . . -55.08 -49.29 63.5 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 114.548 0.579 . . . . 0.61 114.548 -170.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.93 -20.41 64.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.837 0.351 . . . . 0.83 111.589 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.5 tp -98.94 -44.57 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.381 -0.372 . . . . 2.13 111.315 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.429 ' HE2' ' HB3' ' A' ' 16' ' ' MET . 37.8 mtt -98.92 82.44 2.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.987 0.422 . . . . 0.65 110.504 -172.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -153.43 153.15 31.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.742 -0.663 . . . . 1.13 110.461 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -154.15 -162.87 11.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.246 -0.741 . . . . 0.31 111.246 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -107.69 140.16 41.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.317 0.558 . . . . 1.48 112.125 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 111' ' ' PHE . 88.4 t -115.66 103.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.724 -0.843 . . . . 1.11 108.724 171.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 39.9 m -109.08 134.22 51.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.173 0.511 . . . . 0.97 111.573 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.58 123.62 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.524 -0.762 . . . . 1.44 109.855 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.65 154.68 14.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.421 . . . . 0.6 110.713 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 2.25 110.305 -178.055 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 65.4 m . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.159 0.504 . . . . 0.62 110.334 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.8 150.54 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.646 -0.707 . . . . 0.32 110.506 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.06 154.72 42.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 0.27 110.461 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 m -123.56 127.97 49.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.989 0.424 . . . . 0.84 110.637 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -116.94 130.96 70.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 0.87 109.977 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.08 129.03 48.3 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.304 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.8 p -118.28 135.22 54.42 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.241 -0.651 . . . . 0.97 109.241 175.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -122.5 -165.5 1.3 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.875 -0.33 . . . . 1.14 110.963 -173.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -90.13 4.29 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 2.26 111.763 -175.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -95.41 9.52 39.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.959 0.409 . . . . 1.59 110.4 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mtt 62.46 54.74 2.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.382 -0.827 . . . . 1.92 111.14 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -154.18 154.46 33.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.219 -0.446 . . . . 1.86 111.19 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE2' ' HG2' ' A' ' 122' ' ' MET . 60.4 m-85 -98.85 155.43 17.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.103 -1.073 . . . . 0.44 108.103 168.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -78.96 1.0 25.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 2.31 110.949 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -156.21 136.25 12.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.239 -0.437 . . . . 1.12 110.047 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -105.04 17.63 23.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.116 0.484 . . . . 2.18 110.172 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 30.7 t70 -143.64 134.36 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.672 -0.694 . . . . 2.06 110.531 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.2 mt -127.97 133.7 66.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.759 -0.46 . . . . 0.32 109.759 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -103.95 117.54 34.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.128 -0.487 . . . . 1.46 110.467 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 101' ' ' PRO . 85.9 t -107.2 120.92 59.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.068 -0.515 . . . . 0.31 110.208 178.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -77.43 121.35 23.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.039 0.447 . . . . 1.16 110.98 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.54 -19.05 60.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.784 -0.644 . . . . 0.98 110.672 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.98 63.1 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.409 0.623 . . . . 0.65 109.847 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 78.5 m -86.98 144.44 26.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.296 -0.865 . . . . 0.49 109.145 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 10.9 mptt -88.81 -23.75 22.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.752 0.311 . . . . 3.49 110.298 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -141.42 139.7 33.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 2.0 109.965 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -121.3 132.66 54.92 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.845 -0.428 . . . . 0.36 109.845 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 88.9 m -112.75 132.92 55.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.035 0.445 . . . . 0.32 111.137 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.09 130.43 74.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.088 -0.505 . . . . 0.23 110.094 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -110.24 126.35 54.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.28 -0.418 . . . . 0.28 110.462 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 tp -103.15 124.64 48.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.097 -0.501 . . . . 0.2 110.016 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -113.26 108.53 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.232 -0.44 . . . . 2.62 110.17 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.5 t60 -88.35 93.4 9.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.775 -0.454 . . . . 0.29 109.775 177.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 p -82.67 56.6 3.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 1.6 111.234 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.576 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -143.15 158.45 27.23 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.847 -0.901 . . . . 1.16 110.847 177.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -104.53 18.53 22.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.149 0.474 . . . . 1.53 111.854 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -99.47 136.52 20.36 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.168 -0.469 . . . . 2.08 110.466 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -65.42 153.11 79.7 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.4 2.733 . . . . 0.49 112.549 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -67.08 -19.03 65.59 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.659 -0.7 . . . . 1.82 111.831 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.46 -10.23 59.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.399 -0.364 . . . . 0.59 111.24 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 t -121.93 -55.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 1.51 110.311 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 tpp -127.54 68.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.651 0.738 . . . . 1.13 109.284 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.8 152.51 20.33 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 114.999 -1.0 . . . . 0.14 111.405 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.447 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 85.6 m-70 -134.25 151.36 51.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.991 0.424 . . . . 0.15 110.65 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -146.78 168.79 20.51 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.365 -0.834 . . . . 1.48 108.916 172.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 8.8 tt -133.37 117.24 17.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.723 -0.473 . . . . 0.22 109.723 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 7.4 p -117.81 146.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.891 -0.595 . . . . 1.46 109.686 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.414 HD12 ' CD2' ' A' ' 99' ' ' LEU . 46.4 mt -121.25 123.68 70.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.376 -0.375 . . . . 0.51 110.21 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.577 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -148.04 174.12 12.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 0.32 110.708 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.59 127.65 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 1.46 109.951 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HB2' ' A' ' 59' ' ' MET . . . -56.58 -32.93 65.69 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.378 0.881 . . . . 0.77 113.378 -169.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.62 -9.17 59.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.73 0.3 . . . . 2.89 111.516 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.83 8.12 8.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.665 0.745 . . . . 2.15 109.853 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.577 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 12.0 tpt -65.11 -34.87 79.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.361 -0.836 . . . . 0.78 110.884 -175.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 1.8 m-20 -62.3 -35.7 79.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.27 110.635 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.01 -28.81 72.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.892 -0.671 . . . . 0.66 111.681 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 81' ' ' ARG . 43.6 t -65.56 -39.97 86.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.55 110.386 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -68.59 -31.74 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.53 110.709 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.5 mtpt -69.68 -39.06 77.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.531 . . . . 3.03 110.32 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -73.89 -28.48 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.093 -0.503 . . . . 2.28 110.403 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 -44.87 48.49 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.556 -0.747 . . . . 0.5 113.224 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.71 -19.11 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.386 . . . . 1.04 111.39 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.38 16.32 55.31 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.57 -0.824 . . . . 0.53 112.412 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.415 ' HB1' ' CG2' ' A' ' 72' ' ' THR . . . -132.03 48.72 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.99 0.424 . . . . 0.38 111.447 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.62 111.479 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.81 -15.65 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 2.44 111.614 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.415 ' CG2' ' HB1' ' A' ' 69' ' ' ALA . 3.2 t -131.54 55.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.66 0.743 . . . . 1.46 110.932 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 56.8 28.2 14.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.058 -0.973 . . . . 1.66 112.489 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.497 ' CD2' HD11 ' A' ' 88' ' ' LEU . 47.3 m-85 60.65 39.52 17.58 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.114 0.566 . . . . 0.68 112.192 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 1.38 110.088 170.328 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.413 ' HB3' HG22 ' A' ' 62' ' ' VAL . 71.5 mtt180 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.98 0.419 . . . . 2.33 111.133 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.5 t -130.28 84.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 0.78 110.294 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.32 -39.22 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.505 0.669 . . . . 0.91 109.683 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -162.95 151.15 13.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.883 -1.053 . . . . 0.36 109.251 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 30.4 t-80 -156.62 133.88 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 1.96 111.703 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.604 HG23 HD23 ' A' ' 97' ' ' LEU . 30.9 p -88.73 145.5 25.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.5 109.884 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.55 154.34 42.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.547 -0.297 . . . . 2.85 110.611 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.497 HD11 ' CD2' ' A' ' 74' ' ' TYR . 34.9 mt -60.97 114.66 3.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.165 -0.47 . . . . 1.24 110.108 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 14.0 pt -109.24 135.01 49.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-O 121.198 0.523 . . . . 0.35 111.238 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.92 -139.33 10.75 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.066 -0.97 . . . . 0.79 112.866 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -69.62 110.87 3.55 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.303 -0.475 . . . . 0.81 113.225 -174.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.61 28.82 58.75 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.855 -0.688 . . . . 0.8 112.807 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 59.0 mt-10 -113.96 161.21 17.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 2.34 110.783 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -143.07 153.15 42.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.506 -0.77 . . . . 1.86 109.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.535 ' OG ' ' HB ' ' A' ' 86' ' ' THR . 15.5 p -148.87 153.47 38.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.675 0.274 . . . . 1.35 110.433 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -128.75 158.92 37.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 1.0 110.792 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.604 HD23 HG23 ' A' ' 86' ' ' THR . 4.2 pp -138.44 161.27 37.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.26 109.61 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 36.3 m -135.04 131.78 37.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.251 -0.648 . . . . 1.14 109.251 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' A' ' 53' ' ' ILE . 3.6 pp -129.37 158.87 37.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.371 . . . . 0.49 111.261 -175.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.05 111.46 54.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.618 -0.719 . . . . 2.08 109.794 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.416 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 31.0 Cg_endo -63.99 -19.8 66.97 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.997 2.465 . . . . 0.53 113.414 -173.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.45 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.053 0.454 . . . . 0.62 110.99 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -81.18 -22.43 38.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 2.92 110.614 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.96 -8.54 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 1.3 110.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.32 -6.16 50.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 1.08 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.1 -31.22 62.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.84 -0.618 . . . . 2.04 111.438 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.7 -147.45 8.45 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.928 -1.129 . . . . 0.74 113.169 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.55 115.49 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 2.02 110.136 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 13.6 m-85 -107.7 151.92 25.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.176 -0.466 . . . . 0.4 111.647 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.408 ' HG2' ' HD2' ' A' ' 125' ' ' LYS . 63.0 mtpt -137.65 159.62 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 1.53 110.381 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 38.6 p90 -122.43 150.14 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.17 -0.678 . . . . 0.23 109.17 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.62 164.92 19.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.19 111.672 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 41.0 t -92.94 121.45 34.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.992 -1.004 . . . . 0.16 108.359 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.1 p -88.88 15.54 8.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.063 0.394 . . . . 0.24 112.063 -173.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -69.58 131.47 89.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.746 -0.835 . . . . 0.26 108.746 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.58 115.43 2.39 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.922 2.415 . . . . 0.49 112.523 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.98 -30.62 9.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.438 -0.665 . . . . 0.5 111.438 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -80.17 -44.25 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.619 0.247 . . . . 0.38 110.464 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -16.95 20.9 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 114.342 0.497 . . . . 0.61 114.342 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.1 -32.69 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.986 0.393 . . . . 0.83 111.77 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.82 -7.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 2.13 111.784 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.496 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 9.2 ttm -109.8 73.85 0.86 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.37 0.605 . . . . 0.65 109.687 -175.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -143.01 168.59 19.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.269 -0.878 . . . . 1.13 110.824 -174.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -165.61 -176.32 36.95 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.851 -0.69 . . . . 0.31 112.188 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 28.3 mmmt -104.64 132.61 50.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.672 0.272 . . . . 1.48 110.447 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.5 p -110.79 115.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.007 -0.738 . . . . 1.11 109.007 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.5 m -104.98 131.99 51.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.437 -0.801 . . . . 0.97 111.144 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.73 112.74 21.33 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.068 -0.715 . . . . 1.44 109.068 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.72 172.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.767 -0.651 . . . . 0.6 110.491 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.247 -0.433 . . . . 2.25 111.343 -179.031 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 62.9 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.288 0.566 . . . . 0.62 110.373 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.96 154.03 33.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 0.32 110.254 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.44 26.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.0 -0.545 . . . . 0.27 110.211 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -109.64 115.4 29.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.993 0.425 . . . . 0.84 110.118 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.9 t -108.26 122.97 63.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.944 -0.571 . . . . 0.87 109.915 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.546 ' H ' ' HB2' ' A' ' 19' ' ' ASN . 32.8 mt-10 -93.84 143.07 26.67 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 1.98 109.843 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -132.13 136.84 47.4 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.305 -0.628 . . . . 0.97 109.305 175.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -125.61 -176.58 3.64 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.921 -0.312 . . . . 1.14 110.841 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -83.75 2.26 38.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 2.26 110.368 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -88.39 5.0 44.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 1.59 110.35 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.0 mtp 67.01 54.76 0.74 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.306 -0.861 . . . . 1.92 111.362 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -157.95 171.33 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.86 110.533 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -115.2 172.89 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.44 110.994 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.546 ' HB2' ' H ' ' A' ' 11' ' ' GLU . 23.3 t-20 -66.58 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 2.31 110.525 173.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -147.76 159.82 43.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.583 . . . . 1.12 110.156 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -118.24 7.86 12.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 2.18 109.39 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.21 135.83 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.168 -0.924 . . . . 2.06 110.0 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.18 129.97 67.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.435 . . . . 0.32 110.075 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -107.58 114.1 27.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.07 -0.513 . . . . 1.46 110.825 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.06 118.46 45.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 0.31 110.292 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.408 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 22.5 m -80.85 121.95 26.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.062 0.458 . . . . 1.16 110.571 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.04 -24.69 67.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.669 -0.696 . . . . 0.98 112.431 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.48 6.89 9.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.044 0.449 . . . . 0.65 111.539 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 26' ' ' SER . 71.5 m -100.63 141.24 33.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.194 -0.457 . . . . 0.49 110.396 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -64.71 -50.07 68.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.83 -0.623 . . . . 3.49 110.292 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -138.97 148.9 44.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 2.0 109.806 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.1 t80 -108.74 115.75 30.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.354 -0.61 . . . . 0.36 109.354 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -97.86 109.08 21.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.253 0.549 . . . . 0.32 111.406 -174.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -100.04 120.35 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 0.23 109.906 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -108.56 121.94 46.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.289 -0.414 . . . . 0.28 110.803 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 30.4 tp -100.88 126.45 47.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.037 -0.529 . . . . 0.2 109.878 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -120.63 110.12 16.05 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.28 -0.418 . . . . 2.62 109.938 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.1 t60 -85.21 91.86 8.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 0.29 110.126 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -82.38 77.16 9.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.081 -0.963 . . . . 1.6 110.372 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.04 -175.42 22.91 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.585 -1.006 . . . . 1.16 110.585 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.5 p -125.08 13.87 8.41 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 117.186 0.493 . . . . 1.53 111.34 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 13.7 mm100 -93.03 135.71 25.52 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.21 -0.45 . . . . 2.08 111.173 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.63 154.48 68.21 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.863 2.375 . . . . 0.49 111.38 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -67.13 -15.69 63.87 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.605 0.594 . . . . 1.82 112.605 -171.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.7 -12.78 59.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.934 0.397 . . . . 0.59 111.104 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -111.79 -58.38 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.386 -0.37 . . . . 1.51 110.277 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.422 ' HB3' ' CB ' ' A' ' 42' ' ' GLN . 56.7 tpp -133.38 71.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.324 0.583 . . . . 1.13 109.632 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.38 152.26 20.14 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.458 -0.792 . . . . 0.14 111.299 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.455 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 86.5 m-70 -135.42 153.4 51.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.15 110.886 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -143.49 175.26 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.624 -0.716 . . . . 1.48 109.135 169.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -135.02 114.31 12.33 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.41 -0.589 . . . . 0.22 109.41 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 21.6 m -110.74 149.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 1.46 110.633 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.3 mm -116.01 116.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.949 -0.569 . . . . 0.51 109.676 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.74 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -148.9 172.23 15.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 0.32 110.773 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.7 150.33 37.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.391 -0.368 . . . . 1.46 110.825 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.93 -51.42 63.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.365 . . . . 0.77 111.945 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.76 -27.6 65.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 2.89 111.777 -176.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -97.06 -0.34 47.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.996 0.427 . . . . 2.15 110.917 -174.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.74 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 7.2 tpt -67.22 -35.07 78.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 0.78 110.874 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.97 -41.27 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 2.27 111.039 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.93 -29.9 73.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.799 -0.715 . . . . 0.66 111.866 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.63 -45.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.744 0.307 . . . . 0.55 110.573 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.476 ' O ' HG23 ' A' ' 67' ' ' VAL . 44.4 m-85 -65.35 -41.13 94.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.405 -0.361 . . . . 0.53 110.681 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -61.22 -49.19 78.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 3.03 110.857 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.22 -30.37 64.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 2.28 109.952 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.64 92.63 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.364 -0.834 . . . . 0.5 112.725 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 63' ' ' PHE . 87.2 t -61.03 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 1.04 110.678 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.87 8.45 79.78 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.908 -0.663 . . . . 0.53 112.128 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 72' ' ' THR . . . -116.34 41.23 2.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.501 . . . . 0.38 110.641 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.11 67.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.62 111.604 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 -11.77 59.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.954 -0.567 . . . . 2.44 111.81 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.428 ' CG2' ' HB1' ' A' ' 69' ' ' ALA . 5.4 t -130.81 54.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.603 0.716 . . . . 1.46 111.174 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 63.51 23.38 13.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.264 -0.88 . . . . 1.66 112.315 171.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 60.47 35.58 20.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.005 -0.543 . . . . 0.68 111.563 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 1.38 109.957 177.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 120.962 0.411 . . . . 2.33 110.127 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 t -89.0 117.88 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.651 -0.704 . . . . 0.78 110.051 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.01 -44.0 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 0.91 110.186 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.32 156.64 26.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.408 -0.814 . . . . 0.36 109.579 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -151.97 150.4 29.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.921 0.391 . . . . 1.96 110.872 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.489 HG23 HD23 ' A' ' 97' ' ' LEU . 76.8 p -89.51 176.47 6.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.714 -0.847 . . . . 0.5 108.714 169.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -90.37 164.22 14.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.501 -0.555 . . . . 2.85 109.501 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -80.09 100.75 8.36 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.049 -0.723 . . . . 1.24 109.049 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.2 pt -103.71 147.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.343 0.592 . . . . 0.35 112.163 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.32 -171.96 32.29 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.174 -0.921 . . . . 0.79 111.683 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.45 112.89 5.13 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.073 -0.584 . . . . 0.81 112.595 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.16 -9.23 18.06 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.631 -0.795 . . . . 0.8 112.55 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -106.99 156.0 19.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 2.34 111.249 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -123.67 156.95 34.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.485 -0.78 . . . . 1.86 109.691 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 t -153.15 141.22 20.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 1.35 109.779 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 m -129.33 161.57 29.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 1.0 111.012 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -142.98 159.77 41.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 0.26 109.874 176.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -128.39 124.39 36.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 1.14 110.37 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.2 pp -121.1 154.86 35.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.777 -0.453 . . . . 0.49 109.777 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.9 p30 -95.42 135.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.921 -0.4 . . . . 2.08 109.921 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 17.8 Cg_exo -67.0 -12.24 35.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.792 2.328 . . . . 0.53 112.872 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.36 75.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.78 0.324 . . . . 0.62 110.697 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -67.12 -31.57 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.304 -0.407 . . . . 2.92 110.767 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.587 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.27 -17.71 44.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.839 0.352 . . . . 1.3 111.014 -178.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.19 60.94 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.11 -0.495 . . . . 1.08 110.472 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -167.97 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 2.04 111.813 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.5 -173.73 18.84 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.655 -1.26 . . . . 0.74 113.742 -175.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.74 117.15 29.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.749 -0.463 . . . . 2.02 109.749 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.587 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 40.6 m-85 -106.92 154.54 20.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.336 0.588 . . . . 0.4 112.038 -176.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.28 154.79 45.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.521 -0.763 . . . . 1.53 109.353 175.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 48.1 p90 -115.39 153.84 30.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.308 -0.627 . . . . 0.23 109.308 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.21 167.17 18.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.571 0.582 . . . . 0.19 112.571 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 44.9 t -96.23 124.59 40.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.444 -1.253 . . . . 0.16 108.304 171.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.8 p -92.84 11.0 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.299 0.481 . . . . 0.24 112.299 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -63.75 134.35 95.87 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.336 -0.616 . . . . 0.26 109.336 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.16 107.79 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.107 2.538 . . . . 0.49 113.324 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.93 -25.63 23.33 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.724 -0.671 . . . . 0.5 112.191 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -79.12 -36.4 40.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.544 0.212 . . . . 0.38 111.167 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.13 -30.9 61.31 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 116.17 -0.468 . . . . 0.61 114.147 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.28 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.813 0.301 . . . . 0.83 111.813 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 32.9 tp -120.16 -38.81 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 2.13 111.435 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.3 mtt -90.51 72.76 6.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.947 0.403 . . . . 0.65 110.713 -174.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -147.12 149.08 32.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 1.13 110.274 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.51 13.49 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.798 -0.637 . . . . 0.31 111.88 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -104.08 141.48 36.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 1.48 111.107 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.21 114.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.209 -0.663 . . . . 1.11 109.209 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.9 m -116.72 141.21 48.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.583 -0.735 . . . . 0.97 111.38 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 20.0 tp -80.6 125.11 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 1.44 109.456 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.0 m -110.17 154.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.251 0.548 . . . . 0.6 111.019 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 2.25 110.477 -175.847 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 64.7 m . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.154 0.502 . . . . 0.62 110.667 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -145.84 146.01 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.009 -0.541 . . . . 0.32 110.386 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 140.02 50.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.221 -0.445 . . . . 0.27 110.846 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 m -105.15 122.87 46.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.21 -0.45 . . . . 0.84 110.128 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.4 t -122.2 130.5 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.751 -0.462 . . . . 0.87 109.751 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.97 142.62 44.15 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.618 -0.512 . . . . 1.98 109.618 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -122.56 134.35 54.54 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.144 -0.687 . . . . 0.97 109.144 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -113.83 -170.48 1.71 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.138 0.494 . . . . 1.14 111.832 -169.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.733 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 7.3 p-10 -84.05 5.56 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.703 -0.68 . . . . 2.26 111.145 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.411 HD22 ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -96.64 7.02 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.185 0.517 . . . . 1.59 109.896 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.25 53.09 5.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.875 -1.057 . . . . 1.92 111.176 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -155.56 154.54 31.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 1.86 110.61 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 48.5 m-85 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.44 109.869 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -61.61 -21.27 64.21 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.867 -0.606 . . . . 2.31 111.931 176.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -138.39 160.89 38.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.188 0.518 . . . . 1.12 111.567 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -115.65 -7.0 12.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 2.18 110.521 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 7.5 p-10 -143.62 136.04 27.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 2.06 110.922 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 93.3 mt -128.91 130.28 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.706 -0.479 . . . . 0.32 109.706 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -108.06 125.03 51.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.291 -0.413 . . . . 1.46 110.408 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -103.08 117.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.054 -0.521 . . . . 0.31 110.404 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.2 t -74.7 125.54 28.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.007 -0.542 . . . . 1.16 110.747 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 130' ' ' ASP . 19.8 ptpt -75.78 -9.18 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.98 110.362 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.56 -1.08 22.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.271 0.558 . . . . 0.65 110.398 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.555 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 85.9 m -112.02 138.47 48.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.529 -0.76 . . . . 0.49 109.612 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -74.75 -32.73 62.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.232 0.539 . . . . 3.49 109.798 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.93 139.91 45.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.587 -0.733 . . . . 2.0 109.987 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -117.87 124.24 47.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.317 -0.623 . . . . 0.36 109.317 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 27.5 m -108.32 132.77 53.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.32 110.929 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -120.37 123.39 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.194 -0.457 . . . . 0.23 109.925 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -105.3 120.57 41.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.293 -0.412 . . . . 0.28 110.239 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 28.6 tp -106.63 129.28 54.57 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.064 -0.516 . . . . 0.2 109.698 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -129.13 128.37 43.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 2.62 110.132 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.575 ' O ' ' HA2' ' A' ' 92' ' ' GLY . 0.9 OUTLIER -87.02 102.26 14.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.663 -0.699 . . . . 0.29 110.066 -176.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 p -79.42 53.87 1.62 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.724 0.773 . . . . 1.6 110.599 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.43 129.28 2.65 Favored Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 115.19 -0.914 . . . . 1.16 110.88 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -82.55 10.09 8.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.467 0.651 . . . . 1.53 110.774 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.59 131.58 60.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 2.08 110.467 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.09 157.68 55.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.569 2.846 . . . . 0.49 112.426 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -69.76 -16.79 63.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.627 -0.715 . . . . 1.82 112.077 -171.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -20.53 45.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.441 -0.345 . . . . 0.59 110.881 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -105.65 -46.79 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.449 . . . . 1.51 110.782 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.733 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 47.2 ttm -152.07 80.59 1.26 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.296 0.57 . . . . 1.13 110.102 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.47 158.2 19.36 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.795 -0.716 . . . . 0.14 111.431 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 82.1 m-70 -131.27 151.46 51.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.357 -0.537 . . . . 0.15 111.058 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.75 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 30.3 t30 -151.71 136.0 16.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.263 -0.881 . . . . 1.48 109.078 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -111.49 115.56 29.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.047 0.451 . . . . 0.22 110.038 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 20.5 m -114.6 146.41 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.803 -0.635 . . . . 1.46 110.528 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.0 mt -114.59 117.54 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.27 -0.423 . . . . 0.51 109.868 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.56 172.72 12.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 0.32 110.801 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -70.52 139.54 51.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.736 -0.665 . . . . 1.46 110.381 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.87 -57.7 4.67 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.186 0.81 . . . . 0.77 113.186 -172.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -85.37 0.99 50.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.84 0.311 . . . . 2.89 111.84 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -100.73 -7.88 23.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 2.15 110.082 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 mmt -54.0 -35.44 61.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.581 -0.736 . . . . 0.78 111.929 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.83 -44.92 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 2.27 110.822 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.28 -31.09 64.03 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.929 -0.653 . . . . 0.66 111.533 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.91 -46.51 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.216 . . . . 0.55 110.536 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -65.79 -40.84 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.543 0.211 . . . . 0.53 110.74 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -58.27 -54.87 42.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 3.03 110.848 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.33 -15.44 59.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 2.28 111.0 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.05 -48.16 8.63 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.118 -0.563 . . . . 0.5 111.931 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.1 -32.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 1.04 109.877 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.11 16.45 33.16 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.649 -0.705 . . . . 0.53 112.243 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.49 43.31 2.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.211 0.529 . . . . 0.38 110.161 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.62 -30.93 69.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.591 -0.731 . . . . 0.62 111.568 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.37 -11.95 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 2.44 111.531 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.5 t -135.06 60.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.507 0.67 . . . . 1.46 111.484 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.92 20.73 11.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.366 -0.834 . . . . 1.66 112.898 170.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 60.77 33.34 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.68 111.257 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.281 -0.637 . . . . 1.38 109.281 174.224 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 121.228 0.537 . . . . 2.33 110.08 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.25 123.06 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.723 -0.672 . . . . 0.78 109.675 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -75.63 -42.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.126 0.489 . . . . 0.91 110.213 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.27 151.7 21.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.566 -0.743 . . . . 0.36 109.915 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -154.95 140.47 17.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.887 0.375 . . . . 1.96 111.138 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.524 HG23 HD23 ' A' ' 97' ' ' LEU . 32.2 p -83.18 -179.27 7.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.5 109.431 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -105.22 155.3 19.19 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.726 -0.472 . . . . 2.85 109.726 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 tp -66.29 115.57 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 1.24 110.758 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.3 pt -113.95 138.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 0.35 111.737 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -140.53 164.2 26.35 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.79 112.066 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.37 20.89 63.81 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 114.49 0.556 . . . . 0.81 114.49 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 38' ' ' HIS . . . 103.19 5.48 46.47 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.318 -0.944 . . . . 0.8 113.503 176.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.07 166.57 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 2.34 111.081 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.54 157.5 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.765 -0.652 . . . . 1.86 110.778 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.2 t -154.65 151.55 28.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.311 -0.626 . . . . 1.35 109.311 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -130.84 157.19 43.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.833 0.349 . . . . 1.0 110.959 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.524 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -134.51 159.32 41.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 0.26 109.907 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 m -133.39 124.67 27.55 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.293 -0.632 . . . . 1.14 109.293 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 pp -118.07 156.38 28.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.972 0.415 . . . . 0.49 111.593 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 102' ' ' ALA . 31.9 t70 -94.61 112.51 58.12 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 2.08 109.461 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.22 -12.58 33.38 Favored 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.808 2.339 . . . . 0.53 113.925 -173.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.427 ' HB3' ' OD2' ' A' ' 100' ' ' ASP . . . -70.73 -25.44 62.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.776 0.322 . . . . 0.62 110.747 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -67.72 -31.09 70.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 2.92 110.905 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.433 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -85.6 2.58 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 1.3 111.326 -175.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.93 -14.75 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.172 -0.467 . . . . 1.08 110.523 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -116.98 66.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.071 -0.513 . . . . 2.04 111.004 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.49 172.57 13.27 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.538 -0.839 . . . . 0.74 112.744 174.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -99.7 121.02 40.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.149 0.5 . . . . 2.02 109.891 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.433 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 51.7 m-85 -106.33 155.44 19.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.732 -0.667 . . . . 0.4 110.842 -177.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 124' ' ' GLY . 34.2 mtmt -131.92 163.05 29.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.056 -0.52 . . . . 1.53 109.899 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.596 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 50.1 p90 -117.85 144.09 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.967 -0.753 . . . . 0.23 108.967 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.89 163.15 38.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.919 0.39 . . . . 0.19 111.826 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 14.9 t -96.43 119.87 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.296 -0.865 . . . . 0.16 108.799 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -86.57 10.25 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.051 0.389 . . . . 0.24 112.051 -174.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -69.18 133.02 89.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.765 -0.828 . . . . 0.26 108.765 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.32 116.61 3.27 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.708 2.272 . . . . 0.49 112.905 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.77 -12.37 65.97 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.738 -0.665 . . . . 0.5 112.143 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -91.73 -27.32 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.86 0.318 . . . . 0.38 111.86 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.84 -41.25 58.25 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.285 -0.483 . . . . 0.61 113.245 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.53 65.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.945 0.35 . . . . 0.83 111.945 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.1 mt -101.32 -16.65 16.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.052 0.453 . . . . 2.13 111.292 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.526 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 9.3 mtm -130.98 81.26 1.98 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.65 111.375 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.31 143.37 23.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 1.13 109.478 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 110' ' ' LYS . . . -154.35 -176.07 26.25 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.058 -0.591 . . . . 0.31 111.952 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 22.4 tptm -103.71 136.26 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 1.48 111.39 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -123.49 118.33 54.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.349 -0.611 . . . . 1.11 109.349 173.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -122.39 141.95 51.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.883 -0.599 . . . . 0.97 111.347 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.46 131.34 36.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 1.44 109.978 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.6 m -120.74 155.16 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.452 . . . . 0.6 110.818 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . 22.0 t70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.625 -0.716 . . . . 2.25 110.492 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.5 m . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.862 0.363 . . . . 0.62 111.603 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.29 149.58 29.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.416 -0.356 . . . . 0.32 110.586 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.8 148.21 33.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.146 -0.479 . . . . 0.27 110.618 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 m -114.97 126.09 54.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.282 -0.417 . . . . 0.84 110.049 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.9 t -118.0 129.08 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.897 0.379 . . . . 0.87 110.38 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -100.91 130.87 46.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.065 -0.516 . . . . 1.98 110.619 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 8.7 p -116.76 137.03 52.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.64 -0.504 . . . . 0.97 109.64 175.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.614 HD21 ' HG2' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -122.9 170.38 10.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.555 -0.293 . . . . 1.14 110.78 -175.43 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.92 2.25 18.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.113 0.412 . . . . 2.26 112.113 -176.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -91.52 10.23 28.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 1.59 110.722 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp 63.1 69.37 0.58 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.258 -0.883 . . . . 1.92 112.199 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.614 ' HG2' HD21 ' A' ' 13' ' ' ASN . 13.1 pt20 -160.16 157.62 28.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.919 0.39 . . . . 1.86 110.629 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.22 146.06 26.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.483 -0.78 . . . . 0.44 109.065 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.53 -31.18 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 2.31 110.787 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 t -126.02 150.99 47.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.732 -0.47 . . . . 1.12 109.732 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -103.0 -16.05 15.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.002 0.43 . . . . 2.18 110.601 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -135.95 142.24 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.023 -0.535 . . . . 2.06 110.095 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.87 129.05 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 0.32 110.01 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -108.35 125.04 51.26 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.081 -0.508 . . . . 1.46 110.085 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.83 120.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.86 -0.609 . . . . 0.31 110.434 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.4 m -81.34 120.4 24.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 1.16 111.138 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HA ' ' HB2' ' A' ' 101' ' ' PRO . 21.9 ptmt -67.83 -18.28 64.78 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.904 -0.589 . . . . 0.98 111.171 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.52 -8.18 38.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 0.65 111.215 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 86.2 m -97.41 140.72 31.43 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.866 -0.606 . . . . 0.49 109.968 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.48 -31.85 67.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 3.49 110.19 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.1 144.28 25.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 2.0 109.964 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -117.3 128.82 55.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.197 -0.668 . . . . 0.36 109.197 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 89.5 m -116.91 134.59 54.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.057 0.456 . . . . 0.32 110.91 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -122.88 125.28 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 0.23 109.83 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 m -106.92 122.32 46.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 0.28 110.771 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -97.32 124.11 41.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.866 -0.607 . . . . 0.2 110.017 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' CD ' ' HB3' ' A' ' 94' ' ' GLU . 57.1 tptt -116.16 110.06 18.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.638 -0.504 . . . . 2.62 109.638 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.46 ' HD2' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -92.94 99.95 12.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.29 110.321 -177.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -78.81 147.24 33.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.796 -0.638 . . . . 1.6 109.472 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 -168.49 23.16 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.785 -0.721 . . . . 1.16 111.9 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.1 m -126.71 -24.43 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.765 0.283 . . . . 1.53 111.765 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.63 137.2 92.78 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.063 0.459 . . . . 2.08 111.982 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -73.15 159.63 47.05 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 123.235 2.623 . . . . 0.49 112.254 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -63.79 -25.99 68.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.243 -0.889 . . . . 1.82 113.169 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.5 53.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.779 0.323 . . . . 0.59 111.347 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -101.62 -52.42 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 1.51 110.262 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.5 tpp -136.77 65.87 1.49 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.535 0.683 . . . . 1.13 109.23 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.18 156.08 22.64 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.122 -0.945 . . . . 0.14 111.674 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.467 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 89.2 m-70 -136.57 148.13 47.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.866 0.365 . . . . 0.15 110.702 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -140.43 167.39 22.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.892 -0.781 . . . . 1.48 108.892 168.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -130.22 110.33 11.48 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.833 -0.803 . . . . 0.22 108.833 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.3 m -109.62 142.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.84 -0.618 . . . . 1.46 110.261 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 110' ' ' LYS . 43.5 mt -119.83 122.44 68.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.949 0.404 . . . . 0.51 109.975 176.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.42 161.18 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.631 -0.713 . . . . 0.32 110.643 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -68.78 123.39 20.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.495 -0.775 . . . . 1.46 109.573 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.27 15.14 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.222 0.823 . . . . 0.77 113.222 -169.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.96 -32.37 67.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 2.89 111.958 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 5.8 m-20 -102.98 -5.57 23.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.058 0.456 . . . . 2.15 110.507 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 110' ' ' LYS . 22.0 ttt -75.0 -24.33 58.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.78 111.168 -175.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.85 -42.66 89.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 2.27 109.832 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.55 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.316 -0.856 . . . . 0.66 112.222 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 59' ' ' MET . 75.9 t -72.7 -44.89 59.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.608 0.242 . . . . 0.55 110.548 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 67' ' ' VAL . 79.4 m-85 -62.4 -49.74 74.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.53 110.478 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.18 -38.4 91.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.642 -0.708 . . . . 3.03 111.257 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -73.56 -39.79 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.953 0.406 . . . . 2.28 110.603 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.47 -30.98 77.46 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.71 -0.677 . . . . 0.5 113.341 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 63' ' ' PHE . 81.1 t -60.17 -33.17 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.002 0.429 . . . . 1.04 110.696 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.38 -8.29 85.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.53 112.428 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -106.71 49.8 0.79 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.962 0.411 . . . . 0.38 110.815 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.61 -31.97 71.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 0.62 111.821 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -80.21 -17.07 53.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.19 -0.459 . . . . 2.44 111.777 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 69' ' ' ALA . 22.6 p -117.38 52.63 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.89 0.376 . . . . 1.46 111.429 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 62.02 22.53 13.15 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.761 -0.654 . . . . 1.66 112.072 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 60.04 32.27 20.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.3 0.571 . . . . 0.68 111.494 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 108.53 -0.915 . . . . 1.38 108.53 172.171 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HD3' ' O ' ' A' ' 58' ' ' ASP . 78.9 mtt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.097 0.475 . . . . 2.33 110.244 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.7 t -87.14 128.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.712 -0.676 . . . . 0.78 110.408 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.99 -40.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.91 110.228 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 97' ' ' LEU . . . -157.96 150.5 22.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.758 -0.656 . . . . 0.36 110.47 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -155.29 142.99 19.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 1.96 111.031 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.571 HG23 HD23 ' A' ' 97' ' ' LEU . 72.0 p -91.01 167.9 12.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.532 -0.544 . . . . 0.5 109.532 172.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -93.85 161.51 14.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.335 -0.393 . . . . 2.85 109.985 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 88' ' ' LEU . 15.9 mt -66.05 115.55 6.21 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.223 0.535 . . . . 1.24 110.74 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.46 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 20.0 pt -114.33 137.61 47.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.396 -0.82 . . . . 0.35 111.003 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.42 -173.09 48.23 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.73 -0.668 . . . . 0.79 112.122 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.57 111.52 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.102 -0.57 . . . . 0.81 112.755 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.94 -16.95 22.82 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.182 -0.532 . . . . 0.8 112.09 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 43.1 mt-10 -86.87 171.02 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 2.34 111.635 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.426 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 11.3 pt-20 -153.97 148.19 25.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.547 -0.751 . . . . 1.86 110.328 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -154.46 148.96 26.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.261 -0.644 . . . . 1.35 109.261 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -122.96 159.25 28.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.951 0.405 . . . . 1.0 111.349 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.571 HD23 HG23 ' A' ' 86' ' ' THR . 4.2 pp -130.94 162.54 29.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.766 -0.652 . . . . 0.26 109.706 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -139.78 133.2 30.08 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.234 -0.284 . . . . 1.14 110.234 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.4 ' CD2' HD12 ' A' ' 53' ' ' ILE . 4.0 pp -136.78 161.96 34.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 0.49 111.378 -176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -97.33 114.85 65.42 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 115.842 -0.617 . . . . 2.08 110.071 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.479 ' HB2' ' HA ' ' A' ' 27' ' ' LYS . 50.7 Cg_exo -53.66 -26.88 39.62 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.401 2.734 . . . . 0.53 113.324 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.43 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.62 111.255 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -77.34 -25.64 51.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.076 0.465 . . . . 2.92 110.817 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.598 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.9 mp -84.52 -6.67 59.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 1.3 110.777 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.49 -3.32 42.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.861 -0.609 . . . . 1.08 111.446 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -86.5 -16.59 36.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 2.04 112.156 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.63 -160.92 26.47 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 119.842 -1.171 . . . . 0.74 113.162 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -94.71 120.68 35.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.56 0.695 . . . . 2.02 110.72 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 11.6 m-85 -106.47 155.07 19.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.303 -0.862 . . . . 0.4 110.497 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.784 ' HB2' ' SD ' ' A' ' 59' ' ' MET . 40.1 mtpt -126.84 162.74 25.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.201 -0.454 . . . . 1.53 110.308 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.631 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.4 p90 -126.34 142.56 51.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.578 -0.897 . . . . 0.23 108.578 172.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.64 167.39 23.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.053 0.454 . . . . 0.19 111.785 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 19.9 t -99.88 119.36 38.08 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.061 -1.088 . . . . 0.16 108.061 173.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.4 p -86.62 5.81 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.159 0.429 . . . . 0.24 112.159 -172.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.18 125.83 89.02 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.04 -0.726 . . . . 0.26 109.04 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.84 115.1 2.11 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.829 2.353 . . . . 0.49 112.517 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.13 48.11 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.928 -0.653 . . . . 0.5 111.814 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.8 m170 -107.96 -30.04 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.008 0.373 . . . . 0.38 112.008 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.25 -16.66 67.25 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.24 -0.505 . . . . 0.61 114.084 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.71 -33.55 64.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.176 0.488 . . . . 0.83 111.388 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 66.4 tp -107.6 -42.0 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.979 0.419 . . . . 2.13 110.78 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 118' ' ' HIS . 10.4 mtm -82.01 74.92 8.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 0.65 111.129 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -150.96 143.45 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.714 -0.675 . . . . 1.13 110.242 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -155.66 -176.03 27.36 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.927 -0.579 . . . . 0.31 111.673 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.452 ' HD2' ' HG2' ' A' ' 110' ' ' LYS . 12.3 mmmm -105.77 140.71 38.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 1.48 111.916 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.3 t -107.96 111.74 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 1.11 108.688 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.4 m -99.28 124.72 44.59 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.162 -0.472 . . . . 0.97 110.934 -173.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 27' ' ' LYS . 1.4 tm? -85.12 108.03 17.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.189 -0.671 . . . . 1.44 109.189 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 23.0 m -108.53 173.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.266 -0.425 . . . . 0.6 110.731 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 2.25 111.147 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 80.6 m . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.351 0.596 . . . . 0.62 109.564 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.76 159.92 43.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 0.32 110.366 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.9 141.38 26.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.143 -0.48 . . . . 0.27 109.958 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.2 m -111.69 119.4 38.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.991 0.424 . . . . 0.84 110.787 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.74 140.27 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.789 -0.642 . . . . 0.87 109.647 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -114.41 134.03 55.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.895 0.378 . . . . 1.98 110.783 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 p -118.96 136.68 53.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.728 -0.669 . . . . 0.97 109.507 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -116.35 172.19 7.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.591 0.234 . . . . 1.14 111.265 -175.465 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.79 -5.7 32.15 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.08 -0.509 . . . . 2.26 111.18 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.9 15.98 11.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.029 0.443 . . . . 1.59 110.866 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 87.7 mtp 58.56 61.73 2.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.173 -0.921 . . . . 1.92 112.59 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.477 ' HG2' HD21 ' A' ' 13' ' ' ASN . 19.2 pt20 -166.76 155.82 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.991 0.424 . . . . 1.86 111.233 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -91.56 153.13 19.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.935 -1.03 . . . . 0.44 108.734 172.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -77.51 -5.19 49.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.702 0.286 . . . . 2.31 111.204 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 t -151.08 149.19 29.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 1.12 110.42 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -114.91 9.38 16.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.306 -0.406 . . . . 2.18 110.582 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.72 127.58 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 2.06 111.056 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 92.9 mt -132.92 125.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.029 -0.532 . . . . 0.32 109.743 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -107.91 124.12 49.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.113 -0.494 . . . . 1.46 110.398 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -102.71 117.13 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.878 -0.601 . . . . 0.31 109.721 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -78.75 122.87 26.57 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.175 -0.466 . . . . 1.16 110.556 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -73.77 -2.05 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.98 110.792 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.43 -4.24 58.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 0.65 110.12 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 101' ' ' PRO . 63.7 m -111.34 145.61 38.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.661 -0.7 . . . . 0.49 109.405 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.58 -27.88 19.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 3.49 110.923 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.4 127.43 31.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.392 -0.367 . . . . 2.0 110.313 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.0 t80 -124.51 122.54 37.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.601 -0.518 . . . . 0.36 109.601 178.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 82.0 m -110.52 131.26 55.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.165 -0.47 . . . . 0.32 111.247 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.02 122.89 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.111 -0.495 . . . . 0.23 109.72 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -108.62 124.47 50.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.162 -0.472 . . . . 0.28 110.608 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.07 123.03 45.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.158 -0.474 . . . . 0.2 110.298 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -110.4 109.93 20.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.651 -0.5 . . . . 2.62 109.651 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.45 91.64 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 0.29 109.511 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 13' ' ' ASN . 20.0 p -76.09 119.95 20.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.088 -0.96 . . . . 1.6 109.413 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.01 -175.02 34.61 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.711 -0.757 . . . . 1.16 111.848 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -138.54 25.93 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 1.53 111.686 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.07 146.54 32.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 2.08 111.013 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.13 149.0 51.38 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 123.115 2.544 . . . . 0.49 112.676 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.38 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.535 -0.757 . . . . 1.82 111.839 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.51 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 0.59 111.645 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -129.22 -34.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.463 -0.335 . . . . 1.51 110.914 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 42.8 tpp -118.24 48.78 1.35 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.792 0.806 . . . . 1.13 109.744 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.15 151.84 21.3 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 110.433 -1.067 . . . . 0.14 110.433 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 87.8 m-70 -132.69 148.69 52.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.587 -0.445 . . . . 0.15 110.48 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.716 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 21.0 t30 -148.17 135.63 20.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.482 -0.781 . . . . 1.48 109.19 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 tt -107.19 112.99 26.14 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.584 -0.525 . . . . 0.22 109.584 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 11.6 p -110.44 145.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 1.46 110.301 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.424 ' O ' HG12 ' A' ' 83' ' ' VAL . 28.6 mm -112.29 119.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.51 109.669 177.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.75 169.85 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.135 -0.484 . . . . 0.32 110.231 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -69.43 145.9 52.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.704 -0.225 . . . . 1.46 110.936 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.51 -54.02 38.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.869 0.366 . . . . 0.77 111.283 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.34 -14.49 62.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 2.89 111.919 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -99.89 -8.07 24.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.294 0.569 . . . . 2.15 110.117 -174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mmt -59.07 -32.65 69.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.45 -0.795 . . . . 0.78 111.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.14 -43.11 87.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 2.27 110.774 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.08 -30.82 67.17 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.744 -0.741 . . . . 0.66 111.837 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.12 -46.31 72.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.456 0.17 . . . . 0.55 110.668 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 67' ' ' VAL . 29.6 m-85 -66.76 -44.07 82.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.726 -0.215 . . . . 0.53 111.013 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.34 -54.6 44.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.764 0.316 . . . . 3.03 111.326 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.19 -16.38 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.926 0.393 . . . . 2.28 110.834 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.27 -42.73 41.47 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.718 -0.673 . . . . 0.5 112.279 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 63' ' ' PHE . 58.9 t -58.53 -29.18 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 1.04 110.922 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.89 8.22 80.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.809 -0.71 . . . . 0.53 112.703 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -124.16 53.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.043 0.449 . . . . 0.38 110.718 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -37.91 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.62 . . . . 0.62 112.001 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.05 -18.02 59.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 2.44 111.404 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 75' ' ' VAL . 2.9 m -112.48 49.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.117 0.484 . . . . 1.46 110.538 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' HA ' ' HG ' ' A' ' 88' ' ' LEU . 34.4 m-20 59.52 19.97 8.43 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.506 -0.77 . . . . 1.66 112.205 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.504 ' CD2' HD11 ' A' ' 88' ' ' LEU . 62.6 m-85 59.89 39.45 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.68 111.195 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 72' ' ' THR . 28.0 m . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 109.384 -0.598 . . . . 1.38 109.384 172.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 121.207 0.527 . . . . 2.33 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -102.45 120.08 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.78 110.301 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 53' ' ' ILE . 10.7 p -91.33 -26.12 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.939 0.4 . . . . 0.91 110.199 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.45 148.07 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.36 110.459 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -156.44 151.19 25.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 1.96 110.659 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.519 HG23 HD23 ' A' ' 97' ' ' LEU . 38.0 p -88.57 -177.92 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.6 . . . . 0.5 109.819 173.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -95.83 151.69 19.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.905 -0.405 . . . . 2.85 109.905 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 74' ' ' TYR . 14.3 mt -61.0 108.68 0.91 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.365 -0.379 . . . . 1.24 110.23 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.1 pt -111.45 136.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 116.06 -0.518 . . . . 0.35 111.779 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.92 -172.77 49.03 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.403 -0.817 . . . . 0.79 111.842 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.27 122.87 28.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.958 -0.639 . . . . 0.81 112.839 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.74 2.22 63.16 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.8 112.277 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -105.15 165.99 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.8 0.333 . . . . 2.34 111.324 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -143.43 154.16 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 1.86 110.593 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 t -154.42 149.6 26.98 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.378 -0.601 . . . . 1.35 109.378 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -132.13 157.88 43.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.88 0.371 . . . . 1.0 111.254 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.519 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -138.32 156.11 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.26 109.568 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.1 m -131.8 132.39 43.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.704 -0.48 . . . . 1.14 109.704 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.26 155.41 48.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.006 0.431 . . . . 0.49 111.468 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.59 119.2 71.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 2.08 109.171 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.627 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 53.2 Cg_exo -53.31 -32.49 61.51 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.416 2.744 . . . . 0.53 113.895 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.07 -13.4 62.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.954 0.406 . . . . 0.62 111.308 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -85.13 0.55 51.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.463 . . . . 2.92 110.423 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 109' ' ' TYR . 10.9 mp -112.72 18.93 17.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 1.3 110.274 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.74 1.98 53.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.934 -0.576 . . . . 1.08 111.423 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.474 ' HB2' ' OH ' ' A' ' 109' ' ' TYR . 4.0 m-20 -86.79 19.38 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.796 0.295 . . . . 2.04 111.796 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.38 -149.23 18.58 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.145 -1.026 . . . . 0.74 113.152 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.72 121.39 29.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.988 0.423 . . . . 2.02 110.571 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 104' ' ' LEU . 7.8 m-85 -106.52 153.36 22.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.787 -0.642 . . . . 0.4 110.669 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -130.22 156.55 44.42 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.756 -0.656 . . . . 1.53 109.489 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 47.8 p90 -116.44 135.46 53.82 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.674 -1.232 . . . . 0.23 107.674 170.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.72 160.46 43.83 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.438 -0.505 . . . . 0.19 111.48 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.716 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 17.4 t -94.44 116.23 28.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.921 -1.036 . . . . 0.16 108.666 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.0 p -84.13 9.56 12.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.031 0.382 . . . . 0.24 112.031 -173.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -68.42 131.14 91.82 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.082 -0.711 . . . . 0.26 109.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.48 114.67 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.977 2.451 . . . . 0.49 112.9 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.89 -20.83 46.21 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.5 111.824 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -83.97 -40.32 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.554 0.216 . . . . 0.38 110.956 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.87 -21.0 58.07 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-N 116.22 -0.445 . . . . 0.61 113.949 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -26.44 67.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.83 111.264 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 tp -122.29 -39.78 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 2.13 111.124 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 5.8 mtm -80.16 77.88 6.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.492 . . . . 0.65 111.342 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -152.35 145.46 24.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.516 -0.765 . . . . 1.13 109.92 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.51 -171.94 15.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.043 -0.598 . . . . 0.31 111.67 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -105.27 130.04 53.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.796 0.332 . . . . 1.48 111.203 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 4.7 p -121.76 116.81 50.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.814 -0.81 . . . . 1.11 108.814 173.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.3 m -121.16 138.51 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.812 -0.631 . . . . 0.97 111.667 -170.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.39 118.82 20.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.634 -0.712 . . . . 1.44 109.172 173.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 30.1 m -119.49 163.25 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.14 0.495 . . . . 0.6 111.047 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.704 -0.68 . . . . 2.25 110.117 178.627 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 62.8 m . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.311 0.577 . . . . 0.62 109.856 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.25 143.92 24.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.605 -0.725 . . . . 0.32 110.2 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.13 149.35 42.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.175 -0.466 . . . . 0.27 110.427 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.9 m -120.74 138.36 54.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.316 -0.402 . . . . 0.84 110.297 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.67 135.78 56.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.956 -0.566 . . . . 0.87 110.142 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 34.6 tt0 -104.42 141.79 35.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.962 -0.563 . . . . 1.98 110.604 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -125.1 136.32 53.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.759 -0.655 . . . . 0.97 109.554 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -117.3 -172.78 2.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.45 -0.341 . . . . 1.14 110.786 -174.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -84.9 9.37 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.309 . . . . 2.26 111.308 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -102.9 12.48 36.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.885 0.374 . . . . 1.59 110.426 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.3 mtt 61.59 53.87 3.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.249 -0.887 . . . . 1.92 111.735 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -152.63 157.08 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.939 0.399 . . . . 1.86 111.098 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 57.6 m-85 -101.53 154.3 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.031 -1.1 . . . . 0.44 108.031 169.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.521 ' ND2' ' HB3' ' A' ' 11' ' ' GLU . 93.8 m-20 -84.07 18.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.728 -0.389 . . . . 2.31 111.483 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -166.56 141.85 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.151 -0.477 . . . . 1.12 109.886 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -110.83 8.41 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.045 0.45 . . . . 2.18 110.244 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -134.07 128.23 33.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.834 -0.621 . . . . 2.06 111.256 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 80.7 mt -131.43 126.9 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.655 -0.702 . . . . 0.32 109.201 172.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -108.11 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.034 0.445 . . . . 1.46 110.838 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.2 t -97.77 119.26 45.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.941 -0.572 . . . . 0.31 109.67 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -85.05 117.9 24.3 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.183 -0.462 . . . . 1.16 110.547 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -69.55 -17.59 63.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.98 110.834 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 1.53 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.891 -0.595 . . . . 0.65 110.882 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 71.8 m -105.71 139.02 40.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.921 -0.582 . . . . 0.49 109.571 177.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.83 -45.61 88.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.99 -0.55 . . . . 3.49 111.007 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.41 149.48 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 2.0 109.899 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 43.0 t80 -122.02 128.57 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.674 0.273 . . . . 0.36 110.52 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 90.8 m -116.11 133.04 56.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.04 0.447 . . . . 0.32 111.309 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -117.28 130.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.993 -0.549 . . . . 0.23 109.994 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.1 m -112.96 126.12 55.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 0.28 110.866 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.6 tp -103.69 123.79 47.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.463 . . . . 0.2 109.929 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -111.84 113.44 25.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.27 -0.423 . . . . 2.62 110.537 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.59 97.19 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.163 0.506 . . . . 0.29 109.793 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -80.8 -1.37 42.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.31 -0.859 . . . . 1.6 111.446 -175.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.516 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -91.15 124.73 7.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.682 -0.77 . . . . 1.16 112.073 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 m -81.86 66.83 7.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.419 0.628 . . . . 1.53 110.763 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -135.91 140.32 33.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.528 -0.76 . . . . 2.08 109.62 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.86 150.4 88.47 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.016 2.478 . . . . 0.49 112.152 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -67.74 -18.95 65.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.82 112.108 -169.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.91 -11.82 56.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.822 0.344 . . . . 0.59 111.297 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -110.91 -49.1 3.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 1.51 110.498 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.9 tpp -137.5 62.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 1.13 109.543 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.04 153.73 22.05 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.368 -0.833 . . . . 0.14 111.184 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.446 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 90.1 m-70 -135.38 148.15 49.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.777 0.323 . . . . 0.15 110.53 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.4 p-10 -146.22 155.6 42.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 1.48 109.529 173.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 9.9 tt -116.46 111.16 19.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.681 -0.488 . . . . 0.22 109.681 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 61.3 t -110.99 135.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.56 -0.745 . . . . 1.46 110.698 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.68 122.95 71.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 116.358 -0.383 . . . . 0.51 110.871 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.504 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -146.07 167.06 24.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.824 -0.625 . . . . 0.32 110.33 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.77 142.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.061 0.458 . . . . 1.46 110.695 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.17 -26.12 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.302 -0.863 . . . . 0.77 112.415 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.5 -17.05 49.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.855 0.317 . . . . 2.89 111.855 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.446 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 16.8 m-20 -123.96 11.5 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.797 0.295 . . . . 2.15 111.797 -177.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.504 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 13.6 tpt -66.6 -37.35 84.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.381 -0.372 . . . . 0.78 111.042 -175.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 27.8 t70 -63.2 -41.0 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 2.27 110.847 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.98 -31.01 79.52 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.66 111.786 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 58' ' ' ASP . 74.4 t -62.61 -41.89 93.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.646 0.26 . . . . 0.55 110.701 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -64.39 -35.11 79.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.53 110.608 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 73.8 mmtt -63.97 -38.2 90.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 3.03 110.48 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -75.31 -36.72 61.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 2.28 110.111 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.63 65.75 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.349 -0.841 . . . . 0.5 113.257 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.27 -17.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.259 0.552 . . . . 1.04 110.869 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.02 6.9 54.39 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.811 -0.709 . . . . 0.53 112.916 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.4 58.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.38 111.667 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -13.84 62.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 0.62 110.778 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.53 -45.74 73.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.336 -0.847 . . . . 2.44 111.79 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.1 p -102.22 -89.92 0.36 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.051 0.453 . . . . 1.46 111.491 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -143.65 35.09 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 1.66 109.193 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.485 ' CD2' HD11 ' A' ' 88' ' ' LEU . 71.9 m-85 62.23 46.53 6.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.456 -0.793 . . . . 0.68 110.134 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 114.471 -1.24 . . . . 1.38 108.709 175.891 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 98.6 mtt180 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 121.353 0.597 . . . . 2.33 110.039 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.89 112.32 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.347 -0.842 . . . . 0.78 109.431 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.14 -39.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.171 -0.468 . . . . 0.91 110.584 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.37 152.94 31.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.956 -0.566 . . . . 0.36 110.501 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 10.8 p80 -163.18 138.43 6.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.492 -0.322 . . . . 1.96 110.748 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.518 HG23 HD23 ' A' ' 97' ' ' LEU . 68.6 p -85.97 159.06 19.73 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.756 -0.461 . . . . 0.5 109.756 174.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -81.73 153.3 26.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.23 -0.441 . . . . 2.85 109.842 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 74' ' ' TYR . 26.5 mt -59.66 129.74 43.4 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.073 -0.512 . . . . 1.24 110.895 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 23.0 pt -127.61 137.29 58.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.911 -0.586 . . . . 0.35 111.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.9 -147.98 20.54 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.48 -0.782 . . . . 0.79 112.279 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -67.28 123.46 20.69 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.131 -0.557 . . . . 0.81 112.914 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.88 20.88 77.47 Favored Glycine 0 CA--C 1.51 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.8 112.353 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 19.5 mm-40 -115.71 153.02 32.11 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.736 -0.468 . . . . 2.34 109.736 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.53 147.73 39.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.971 0.415 . . . . 1.86 110.253 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 p -133.85 150.74 51.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.087 -0.506 . . . . 1.35 109.853 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.4 p -141.58 146.46 36.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.855 0.359 . . . . 1.0 110.684 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.518 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -129.43 153.16 48.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.051 -0.522 . . . . 0.26 109.758 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.6 m -126.54 117.62 23.2 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.288 -0.634 . . . . 1.14 109.288 174.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.26 160.4 19.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.04 -0.527 . . . . 0.49 111.182 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.431 ' OD2' ' HB3' ' A' ' 102' ' ' ALA . 16.7 t70 -91.92 115.74 65.17 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.269 -0.878 . . . . 2.08 110.405 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -56.79 -24.96 58.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.977 2.451 . . . . 0.53 113.433 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.431 ' HB3' ' OD2' ' A' ' 100' ' ' ASP . . . -71.91 -24.84 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.604 0.24 . . . . 0.62 110.931 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -24.95 62.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.11 0.481 . . . . 2.92 110.156 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.518 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 54.1 mt -86.8 -0.06 55.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.492 . . . . 1.3 110.648 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.35 40.78 0.9 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.835 -0.62 . . . . 1.08 110.692 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -137.05 24.94 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 2.04 110.479 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.08 -157.36 24.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.909 -1.138 . . . . 0.74 113.591 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.07 130.18 53.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 2.02 110.01 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.518 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 36.3 m-85 -107.47 154.51 21.25 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.614 -0.721 . . . . 0.4 111.622 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -119.61 151.68 38.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.648 -0.706 . . . . 1.53 109.763 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.598 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 33.8 p90 -123.44 142.66 50.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.958 -0.756 . . . . 0.23 108.958 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.76 169.74 20.87 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.951 0.405 . . . . 0.19 111.2 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 31.3 t -98.99 126.26 44.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.37 -0.974 . . . . 0.16 108.37 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 p -100.53 12.37 37.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 0.24 111.728 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.41 137.86 97.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.035 -0.728 . . . . 0.26 109.035 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.87 114.38 1.76 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.819 2.346 . . . . 0.49 113.001 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.94 -14.57 62.64 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.496 -0.775 . . . . 0.5 111.896 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -92.42 -27.54 17.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 0.38 111.366 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.66 -15.71 54.43 Favored Glycine 0 C--N 1.33 0.236 0 CA-C-N 116.116 -0.493 . . . . 0.61 113.505 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.72 -20.45 27.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.532 -0.393 . . . . 0.83 111.422 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -109.97 -52.3 2.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.954 0.353 . . . . 2.13 111.954 -172.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.55 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 5.0 mtm -85.38 92.6 8.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.792 0.33 . . . . 0.65 111.056 -175.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -140.34 145.5 37.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.955 -0.566 . . . . 1.13 110.481 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -158.87 179.95 34.14 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.397 -0.681 . . . . 0.31 111.397 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -114.98 139.29 49.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.995 0.398 . . . . 1.48 110.797 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 2.5 p -118.22 113.96 43.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.624 0.726 . . . . 1.11 109.257 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.2 m -109.02 136.29 48.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.467 -0.788 . . . . 0.97 111.244 -170.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.9 tp -82.07 125.99 31.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.291 -0.633 . . . . 1.44 109.291 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 35.4 m -123.57 176.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.507 -0.315 . . . . 0.6 110.544 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 2.25 111.365 -179.4 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.095 -0.335 . . . . 3.08 110.095 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.407 HG21 ' C ' ' A' ' 130' ' ' ASP . 54.6 m -137.1 -36.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.937 0.398 . . . . 3.52 111.457 -177.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.39 19.84 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 2.32 111.171 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.61 43.66 0.91 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.55 -0.833 . . . . 1.56 112.257 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -161.67 92.98 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.548 0.69 . . . . 2.26 111.225 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.521 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 76.5 m -104.09 3.52 33.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.714 -0.675 . . . . 0.62 110.06 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.05 155.87 40.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.5 -0.773 . . . . 0.32 110.435 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.84 156.43 45.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.903 -0.589 . . . . 0.27 110.028 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m -126.46 123.58 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.004 0.43 . . . . 0.84 110.724 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.03 135.61 49.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.8 -0.636 . . . . 0.87 109.901 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -110.3 126.82 54.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.429 -0.35 . . . . 1.98 110.447 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.518 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 36.1 p -123.1 139.14 54.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 0.97 109.935 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.4 ' OD1' ' HG2' ' A' ' 17' ' ' GLN . 34.7 p30 -123.41 177.85 5.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.185 -0.302 . . . . 1.14 110.185 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.02 27.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.285 0.564 . . . . 2.26 110.838 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -106.42 9.47 31.73 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.409 -0.96 . . . . 1.59 108.409 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.8 mpp? 64.7 64.39 0.67 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.157 -1.383 . . . . 1.92 111.863 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 3.3 pt20 -159.97 155.51 25.59 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.042 0.448 . . . . 1.86 111.725 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 29.2 m-85 -108.45 151.87 25.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.211 -0.904 . . . . 0.44 108.665 169.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -81.58 2.97 26.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.782 0.325 . . . . 2.31 111.286 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -157.23 142.79 17.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.939 -0.393 . . . . 1.12 109.939 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -114.49 4.81 15.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.462 0.649 . . . . 2.18 109.546 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -138.22 125.11 21.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.386 -0.825 . . . . 2.06 110.425 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 87.2 mt -125.6 120.96 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.216 0.531 . . . . 0.32 109.783 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.45 114.41 28.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.754 -0.657 . . . . 1.46 110.356 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.82 125.13 46.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.441 -0.8 . . . . 0.31 110.226 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -81.31 128.63 34.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.758 -0.656 . . . . 1.16 110.805 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -75.97 -1.81 27.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.98 110.539 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.27 -5.71 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 0.65 110.266 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.521 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 60.4 m -104.11 139.74 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.588 -0.733 . . . . 0.49 110.161 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -69.85 -46.15 66.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.507 -0.553 . . . . 3.49 109.507 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.47 149.9 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.371 -0.831 . . . . 2.0 109.122 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -120.68 128.19 52.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.965 -0.383 . . . . 0.36 109.965 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 38.2 m -103.26 133.0 49.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.267 -0.424 . . . . 0.32 110.746 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -121.17 120.67 62.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 109.869 -0.419 . . . . 0.23 109.869 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -106.61 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.012 -0.54 . . . . 0.28 110.313 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -103.76 128.77 51.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.215 -0.448 . . . . 0.2 109.83 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -121.78 115.37 22.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.8 -0.444 . . . . 2.62 109.8 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.3 t60 -88.03 92.29 9.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.224 0.535 . . . . 0.29 109.893 -178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.4 p -85.06 77.18 10.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 1.6 110.864 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.26 -162.58 10.96 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.614 -0.721 . . . . 1.16 111.697 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -127.01 1.67 6.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 1.53 111.366 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -95.9 134.65 23.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.967 0.413 . . . . 2.08 111.545 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.95 159.17 51.03 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.328 2.686 . . . . 0.49 111.996 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -61.89 -24.55 67.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.367 -0.833 . . . . 1.82 112.867 -169.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.68 43.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.845 0.355 . . . . 0.59 111.598 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -102.56 -45.04 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 1.51 110.038 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.5 tpp -144.93 73.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 1.13 109.436 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.66 150.33 19.82 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.357 -0.838 . . . . 0.14 111.784 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.457 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 81.3 m-70 -132.71 149.03 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.816 -0.354 . . . . 0.15 110.606 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -141.54 166.48 24.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.969 -0.752 . . . . 1.48 108.969 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -126.48 110.61 13.48 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.382 -0.599 . . . . 0.22 109.382 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 64.5 t -111.87 130.05 66.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.454 -0.794 . . . . 1.46 110.478 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -109.57 122.21 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 0.51 110.105 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.511 ' CB ' HG21 ' A' ' 62' ' ' VAL . . . -147.26 165.57 29.69 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.723 -0.671 . . . . 0.32 110.974 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -69.29 126.15 28.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.256 -0.884 . . . . 1.46 109.279 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 59' ' ' MET . . . -56.9 -36.48 70.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.523 -0.762 . . . . 0.77 112.267 -171.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.98 -25.01 68.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 2.89 110.911 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.34 4.75 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 2.15 110.864 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 8.4 tpt -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.78 111.152 -172.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.16 -44.66 96.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 2.27 110.927 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.2 -28.09 73.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.859 -0.686 . . . . 0.66 111.627 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.511 HG21 ' CB ' ' A' ' 54' ' ' ALA . 75.7 t -67.99 -49.91 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.256 . . . . 0.55 110.659 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 67' ' ' VAL . 57.0 m-85 -61.89 -43.06 99.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 0.53 110.555 176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.95 -48.03 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.76 -0.654 . . . . 3.03 110.833 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.03 -24.96 60.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 2.28 110.437 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.36 90.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.987 -0.625 . . . . 0.5 112.205 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 63' ' ' PHE . 76.5 t -63.54 -33.9 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.046 0.451 . . . . 1.04 110.809 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.97 -12.77 83.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.803 -0.713 . . . . 0.53 112.39 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.464 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -106.85 47.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 0.38 110.617 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.12 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.658 . . . . 0.62 111.643 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -70.42 -22.2 62.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.246 -0.434 . . . . 2.44 111.462 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.464 ' OG1' ' HB1' ' A' ' 69' ' ' ALA . 21.7 p -111.82 49.18 0.91 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.73 0.3 . . . . 1.46 111.395 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.93 26.9 16.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.914 -0.585 . . . . 1.66 111.835 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 62.45 25.93 15.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.602 -0.726 . . . . 0.68 111.67 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.05 130.22 71.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.996 -0.742 . . . . 1.38 108.996 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.566 ' CD ' ' HB2' ' A' ' 78' ' ' ASP . 14.2 tmtt? -95.52 122.5 59.04 Favored Pre-proline 0 C--N 1.318 -0.799 0 N-CA-C 110.036 -0.357 . . . . 2.55 110.036 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.75 98.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.784 2.323 . . . . 1.92 111.253 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.566 ' HB2' ' CD ' ' A' ' 76' ' ' LYS . 12.7 t70 -161.59 -60.85 0.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.911 -0.586 . . . . 3.52 109.473 -172.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.9 47.17 22.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.641 -0.709 . . . . 3.58 112.147 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.58 -53.15 2.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.445 . . . . 1.02 110.186 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -87.23 -23.18 24.82 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.502 -0.925 . . . . 2.33 108.502 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.8 132.68 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.456 -1.247 . . . . 0.78 109.523 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 81.9 t -88.44 -40.28 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.478 -0.328 . . . . 0.91 110.52 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.6 153.41 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.188 -0.46 . . . . 0.36 110.74 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -154.92 138.07 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.323 -0.399 . . . . 1.96 111.098 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.56 HG23 HD23 ' A' ' 97' ' ' LEU . 72.1 p -92.72 178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.412 -0.588 . . . . 0.5 109.412 173.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -97.18 173.79 7.06 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.537 -0.542 . . . . 2.85 109.537 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -77.37 127.04 31.88 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.342 -0.614 . . . . 1.24 109.342 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.15 139.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.037 0.446 . . . . 0.35 111.455 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.11 -168.87 39.25 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.79 112.198 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.99 103.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.236 -0.506 . . . . 0.81 112.856 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.98 -23.1 10.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.001 -0.619 . . . . 0.8 111.95 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -82.09 166.09 20.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.971 0.415 . . . . 2.34 110.708 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.93 154.95 43.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 1.86 110.339 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -144.27 159.65 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.913 -0.773 . . . . 1.35 108.913 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.0 p -143.75 160.5 40.62 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.796 0.331 . . . . 1.0 110.941 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.56 HD23 HG23 ' A' ' 86' ' ' THR . 4.1 pp -142.47 161.4 38.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 0.26 110.235 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.32 126.45 35.35 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.962 -0.563 . . . . 1.14 110.052 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 3.6 pp -126.07 156.46 39.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.939 0.399 . . . . 0.49 111.108 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.24 108.86 29.39 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.337 -0.847 . . . . 2.08 109.999 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 99' ' ' LEU . 45.4 Cg_exo -54.45 -35.0 83.78 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.298 2.665 . . . . 0.53 113.19 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.12 -11.27 60.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.813 0.34 . . . . 0.62 111.481 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -89.89 -7.3 54.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.311 0.577 . . . . 2.92 110.279 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 58.9 mt -88.28 4.72 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 1.3 110.847 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.53 2.96 42.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.295 -0.411 . . . . 1.08 111.405 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.5 -22.15 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.453 -0.339 . . . . 2.04 111.74 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 159.63 -140.9 7.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.055 -1.069 . . . . 0.74 112.779 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -91.96 122.78 34.8 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.02 110.439 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.036 -0.529 . . . . 0.4 111.146 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -130.22 153.69 48.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.059 -0.519 . . . . 1.53 110.259 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 43.5 p90 -115.75 144.04 44.53 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.233 -1.025 . . . . 0.23 108.233 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.82 163.28 29.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.08 0.467 . . . . 0.19 111.827 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 27.7 t -93.5 120.21 33.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.863 -1.062 . . . . 0.16 108.652 173.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.7 p -89.2 17.84 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 0.24 111.72 -173.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -75.29 123.5 88.74 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.751 -0.833 . . . . 0.26 108.751 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.28 116.78 3.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.748 2.299 . . . . 0.49 112.46 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.4 -11.95 51.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.085 -0.579 . . . . 0.5 112.199 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -98.95 -39.12 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.67 0.248 . . . . 0.38 111.67 -178.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.63 -23.96 59.15 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.399 0.52 . . . . 0.61 114.399 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.14 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.991 0.396 . . . . 0.83 111.51 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -121.03 -36.59 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 2.13 110.436 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.452 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 30.9 mtt -86.82 72.52 10.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 0.65 110.848 -174.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -154.03 155.57 35.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 1.13 109.65 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -151.78 -150.88 5.46 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.346 -0.93 . . . . 0.31 112.432 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -118.73 134.85 54.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.308 -0.256 . . . . 1.48 110.308 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -127.28 120.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.45 0.643 . . . . 1.11 109.304 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -125.44 141.0 52.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.705 -0.68 . . . . 0.97 111.577 -169.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.86 123.96 29.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.508 -0.553 . . . . 1.44 109.508 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.09 162.51 29.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.251 0.548 . . . . 0.6 111.335 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.407 ' C ' HG21 ' A' ' 2' ' ' THR . 9.1 t70 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.343 -0.844 . . . . 2.25 109.78 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.586 0.231 . . . . 3.08 110.393 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -83.43 86.72 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.948 0.404 . . . . 3.52 110.463 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.97 -3.13 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.04 -0.527 . . . . 2.32 111.374 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.97 53.93 4.91 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.721 -0.752 . . . . 1.56 112.323 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -139.37 116.86 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.574 0.225 . . . . 2.26 110.718 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 85.1 m -107.98 -10.91 15.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.358 0.599 . . . . 0.62 109.97 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.34 158.95 44.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.583 -0.735 . . . . 0.32 110.199 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.49 142.8 26.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.088 -0.506 . . . . 0.27 110.378 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t -112.85 126.22 55.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.195 0.522 . . . . 0.84 110.01 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.24 121.79 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.629 -0.714 . . . . 0.87 109.946 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -90.31 143.23 26.95 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.539 -0.541 . . . . 1.98 109.539 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 p -128.62 135.86 49.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.408 -0.59 . . . . 0.97 109.408 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -124.27 -166.21 1.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.912 0.387 . . . . 1.14 111.685 -171.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.53 -21.89 55.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 2.26 111.472 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.39 15.48 0.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.576 0.584 . . . . 1.59 112.576 -171.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 mtt 58.31 51.45 8.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.238 -0.437 . . . . 1.92 111.158 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -148.26 152.77 37.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.364 0.602 . . . . 1.86 111.96 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -93.18 151.82 19.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.766 -1.106 . . . . 0.44 108.17 164.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 7.59 14.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.762 0.315 . . . . 2.31 110.756 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.4 p -138.51 134.0 33.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.059 -0.518 . . . . 1.12 111.317 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -105.88 -11.78 16.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 2.18 109.872 169.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -141.05 139.23 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.855 . . . . 2.06 109.572 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.1 mt -122.56 127.15 74.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.451 -0.574 . . . . 0.32 109.451 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -97.79 106.03 18.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.144 0.497 . . . . 1.46 110.975 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.1 t -96.8 119.01 44.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.568 -0.742 . . . . 0.31 109.883 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -79.81 125.92 30.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.254 -0.43 . . . . 1.16 110.743 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -79.93 1.79 25.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.98 110.556 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.16 -6.63 59.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.65 110.143 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.611 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 61.6 m -104.74 154.36 20.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.593 -0.73 . . . . 0.49 109.781 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -89.34 -31.45 17.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.092 0.472 . . . . 3.49 110.11 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.03 131.26 34.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.939 -0.573 . . . . 2.0 109.82 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -111.77 127.67 55.87 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.239 -0.652 . . . . 0.36 109.239 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 26.3 m -106.9 124.52 49.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.39 -0.368 . . . . 0.32 111.143 -175.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 96' ' ' SER . 67.6 mt -111.91 122.08 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.45 -0.341 . . . . 0.23 110.103 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 m -108.58 127.53 54.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.051 -0.522 . . . . 0.28 110.391 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.9 tp -103.3 128.96 50.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.149 -0.478 . . . . 0.2 109.889 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -117.81 108.26 15.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.37 -0.377 . . . . 2.62 110.211 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.75 92.48 5.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.29 109.886 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.2 p -74.89 -36.29 62.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.501 -0.772 . . . . 1.6 111.967 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.3 127.2 38.72 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.84 -0.618 . . . . 1.16 112.799 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 p -75.08 59.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.143 0.497 . . . . 1.53 111.698 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' MET . 19.6 mm-40 -121.95 132.07 24.31 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.916 -0.584 . . . . 2.08 110.241 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.69 145.66 91.47 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.699 2.266 . . . . 0.49 111.68 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -67.77 -19.47 65.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.989 -0.55 . . . . 1.82 112.048 -171.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.31 59.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 0.59 111.049 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -112.57 -51.77 2.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.314 -0.403 . . . . 1.51 110.813 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 45.0 tpp -134.18 64.92 1.59 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.298 0.571 . . . . 1.13 109.768 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.8 152.99 22.79 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 110.65 -0.98 . . . . 0.14 110.65 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 83.7 m-70 -133.2 146.61 51.66 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.59 -0.444 . . . . 0.15 110.387 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.1 p-10 -144.53 152.88 41.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.111 -0.7 . . . . 1.48 109.111 173.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 tt -115.57 112.06 21.62 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.564 -0.532 . . . . 0.22 109.564 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.624 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 5.9 m -111.46 146.29 16.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.604 -0.726 . . . . 1.46 110.307 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.3 mt -119.59 116.69 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.588 -0.523 . . . . 0.51 109.588 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -140.92 167.79 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.462 -0.79 . . . . 0.32 110.592 -174.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -74.54 131.75 41.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.711 -0.677 . . . . 1.46 110.098 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.92 61.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.749 . . . . 0.77 112.123 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -26.81 64.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 2.89 111.521 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 62' ' ' VAL . 1.3 m-20 -119.45 17.91 12.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.51 -0.314 . . . . 2.15 110.739 -175.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 9.0 tpt -66.17 -41.25 90.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.78 111.435 -172.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.53 -36.67 84.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 2.27 110.468 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.19 77.17 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.62 -0.718 . . . . 0.66 111.868 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 58' ' ' ASP . 96.7 t -64.32 -43.97 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.828 0.347 . . . . 0.55 110.524 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -69.75 -35.95 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.53 110.292 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.16 -47.0 78.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 3.03 110.774 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.19 -17.85 56.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 2.28 111.076 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.62 -33.98 67.19 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.108 -0.568 . . . . 0.5 112.658 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.96 -32.26 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.108 0.48 . . . . 1.04 110.884 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -88.08 10.44 70.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 0.53 112.726 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -123.51 39.01 4.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 0.38 110.835 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 0.62 111.852 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -77.81 -20.42 53.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.286 -0.415 . . . . 2.44 111.577 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 m -94.87 -76.3 0.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.95 -0.3 . . . . 1.46 110.79 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -168.18 26.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.129 0.49 . . . . 1.66 109.984 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 62.95 26.91 15.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.296 -0.865 . . . . 0.68 110.934 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.5 t -130.39 128.95 64.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.133 -0.939 . . . . 1.38 108.624 171.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -67.7 120.67 75.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.469 -0.567 . . . . 2.55 109.469 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.52 22.98 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.551 2.834 . . . . 1.92 114.211 -172.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.02 -30.2 39.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.09 -0.707 . . . . 3.52 109.09 170.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 49.54 56.69 7.45 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.674 0.608 . . . . 3.58 111.138 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.46 -48.61 3.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.534 -0.757 . . . . 1.02 110.08 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -80.21 -32.23 38.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.349 0.595 . . . . 2.33 110.047 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.53 129.97 44.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.335 -0.848 . . . . 0.78 110.287 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.38 -43.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.912 -0.585 . . . . 0.91 110.191 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.03 149.26 31.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.875 -0.602 . . . . 0.36 110.168 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -157.57 137.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.755 0.312 . . . . 1.96 110.985 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 HD23 ' A' ' 97' ' ' LEU . 71.5 p -83.89 158.94 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.794 -0.639 . . . . 0.5 109.911 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -66.08 149.5 50.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.099 -0.334 . . . . 2.85 110.099 174.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.62 103.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.9 -0.778 . . . . 1.24 108.9 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.9 pt -101.73 145.98 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.328 0.585 . . . . 0.35 112.152 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.2 -157.59 31.65 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.054 -0.975 . . . . 0.79 111.942 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.22 125.02 8.59 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.028 -0.606 . . . . 0.81 113.02 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.18 0.45 77.16 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.031 -0.604 . . . . 0.8 112.492 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.9 167.19 10.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.696 0.284 . . . . 2.34 110.424 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -149.32 157.56 43.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.078 -0.51 . . . . 1.86 110.567 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.5 t -151.88 159.59 43.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.494 -0.558 . . . . 1.35 109.494 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 36.2 m -137.71 155.59 48.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.677 0.275 . . . . 1.0 111.121 -177.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.566 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -134.15 159.41 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.167 -0.469 . . . . 0.26 109.997 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -130.6 141.11 50.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.306 -0.406 . . . . 1.14 110.32 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 pp -144.94 161.64 38.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.42 -0.355 . . . . 0.49 110.847 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.58 121.44 64.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 2.08 109.976 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.474 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 31.9 Cg_exo -58.41 -25.97 75.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.054 2.503 . . . . 0.53 113.619 -177.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.54 61.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.086 0.469 . . . . 0.62 110.795 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -78.55 -21.18 49.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 2.92 110.173 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 48.7 mt -85.56 -5.82 59.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.541 . . . . 1.3 110.827 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.58 2.38 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 1.08 110.76 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -98.9 -10.22 23.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 2.04 111.165 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.32 -173.55 30.1 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 119.935 -1.126 . . . . 0.74 113.237 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -109.76 111.36 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.888 -0.782 . . . . 2.02 108.888 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.589 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 79.4 m-85 -105.28 146.63 29.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.665 0.745 . . . . 0.4 112.273 -169.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.77 152.89 34.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.754 -1.112 . . . . 1.53 109.456 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.624 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.6 p90 -115.81 139.37 50.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.385 -0.969 . . . . 0.23 108.385 170.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.36 168.63 25.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.147 0.499 . . . . 0.19 111.832 -174.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 20.1 t -100.11 123.26 44.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.794 -1.094 . . . . 0.16 108.257 173.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.0 p -95.56 13.21 26.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.913 0.387 . . . . 0.24 111.552 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.59 134.28 95.96 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.083 -0.71 . . . . 0.26 109.083 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.98 110.48 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.793 2.329 . . . . 0.49 112.642 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.43 -8.76 52.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.779 -0.724 . . . . 0.5 112.316 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -103.07 -20.03 14.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.696 -0.297 . . . . 0.38 111.239 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.09 95.6 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.665 0.626 . . . . 0.61 114.665 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -12.41 56.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.295 0.547 . . . . 0.83 111.204 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 tp -105.58 -48.77 3.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.011 0.434 . . . . 2.13 111.131 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 36.3 mtt -93.64 81.71 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.239 -0.437 . . . . 0.65 110.416 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -151.15 158.19 43.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.722 -0.672 . . . . 1.13 110.834 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.14 -168.99 23.79 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.252 -0.885 . . . . 0.31 110.9 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.84 141.37 38.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.305 0.553 . . . . 1.48 111.624 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.1 108.74 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 1.11 109.459 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.3 m -95.34 112.51 24.21 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.088 -0.506 . . . . 0.97 111.327 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.7 tp -77.72 119.55 21.4 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.655 -0.868 . . . . 1.44 108.655 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.79 157.66 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.085 0.469 . . . . 0.6 111.127 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.499 -0.773 . . . . 2.25 110.355 178.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.936 0.398 . . . . 3.08 110.719 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -92.68 -49.57 6.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.472 -0.331 . . . . 3.52 111.573 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.96 3.81 7.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 2.32 111.26 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.05 44.23 2.97 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.807 -0.711 . . . . 1.56 112.139 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -163.34 98.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.802 -0.444 . . . . 2.26 109.802 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.8 m -105.45 16.45 25.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.026 0.441 . . . . 0.62 110.97 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -154.87 146.35 23.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 0.32 110.482 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.97 143.02 29.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.524 -0.307 . . . . 0.27 110.5 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 m -106.81 130.61 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.0 0.429 . . . . 0.84 110.628 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 64.2 t -120.46 133.58 66.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.869 -0.605 . . . . 0.87 109.38 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HG2' ' HB2' ' A' ' 37' ' ' LYS . 41.3 mt-10 -106.4 142.35 36.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.5 . . . . 1.98 110.765 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 7.9 p -122.79 137.11 55.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.168 -0.924 . . . . 0.97 108.808 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -123.22 -178.22 3.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.928 0.394 . . . . 1.14 111.227 -172.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.562 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 8.6 p-10 -76.63 2.4 14.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.754 -0.657 . . . . 2.26 111.607 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.92 5.75 43.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.922 -0.399 . . . . 1.59 109.922 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtm 61.87 42.9 9.87 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.392 -0.822 . . . . 1.92 111.284 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -134.22 126.25 29.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.951 0.405 . . . . 1.86 111.424 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 25.8 m-85 -74.23 146.1 43.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.44 109.986 174.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.413 ' OD1' ' HB2' ' A' ' 11' ' ' GLU . 6.9 m-20 -58.97 -29.37 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 2.31 111.348 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -144.45 152.0 40.01 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.243 -0.435 . . . . 1.12 110.404 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -117.03 11.96 14.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.332 0.587 . . . . 2.18 110.018 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.1 t70 -143.56 129.15 19.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.55 -0.75 . . . . 2.06 110.169 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.6 mt -124.42 126.82 72.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.182 -0.463 . . . . 0.32 109.834 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -95.63 108.48 20.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.069 0.462 . . . . 1.46 110.711 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -95.78 118.8 42.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.792 -0.64 . . . . 0.31 109.699 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.622 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 16.6 t -77.07 120.23 21.87 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.949 -0.569 . . . . 1.16 110.153 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -72.31 -10.56 59.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 0.98 110.301 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.83 -10.11 58.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 0.65 110.423 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' A' ' 26' ' ' SER . 99.0 m -88.17 148.2 24.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.49 109.866 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -82.06 -27.59 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.172 -0.467 . . . . 3.49 110.438 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -155.55 149.73 25.73 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.429 -0.582 . . . . 2.0 109.429 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -127.65 125.11 39.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.889 -0.412 . . . . 0.36 109.889 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 86.9 m -109.17 130.84 55.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.211 0.529 . . . . 0.32 111.161 -177.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.4 mt -115.92 124.5 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 0.23 110.039 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -107.2 124.15 49.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.072 -0.513 . . . . 0.28 110.469 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 29.2 tp -102.87 128.17 49.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.362 -0.381 . . . . 0.2 110.263 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 34.2 mmtp -115.66 112.74 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 2.62 109.96 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.7 94.37 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.16 0.505 . . . . 0.29 110.229 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -78.85 145.94 33.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.416 -0.811 . . . . 1.6 109.232 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.13 170.99 12.69 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.443 -0.663 . . . . 1.16 111.443 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.9 p -119.01 20.55 12.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.959 0.409 . . . . 1.53 111.865 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -97.61 127.36 37.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.468 -0.333 . . . . 2.08 110.582 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.01 165.45 32.34 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.732 2.288 . . . . 0.49 112.353 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -53.61 -42.44 67.71 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.533 0.568 . . . . 1.82 112.533 -171.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.16 -20.84 64.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.328 . . . . 0.59 111.806 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -93.8 -42.39 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 1.51 110.317 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.562 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 51.7 ttm -164.87 83.18 0.38 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.275 0.559 . . . . 1.13 110.638 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.82 156.22 21.39 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.133 -0.787 . . . . 0.14 111.133 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 84.5 m-70 -135.75 154.99 51.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.808 0.337 . . . . 0.15 110.653 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -146.27 169.07 19.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 1.48 109.243 169.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tt -123.93 109.73 13.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.0 -0.741 . . . . 0.22 109.0 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 71.5 t -114.44 130.62 68.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.367 -0.833 . . . . 1.46 110.614 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -112.44 118.6 58.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.113 -0.494 . . . . 0.51 109.818 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -142.6 165.14 28.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 0.32 111.052 -176.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -62.84 128.6 36.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.481 -0.781 . . . . 1.46 109.884 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.74 66.03 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.458 0.54 . . . . 0.77 112.458 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.76 -12.12 59.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.729 0.299 . . . . 2.89 111.167 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 12.1 m-20 -123.06 9.02 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 2.15 110.403 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.654 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 11.5 tpt -68.17 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.852 -0.613 . . . . 0.78 110.456 -173.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.4 t70 -60.33 -39.34 86.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 2.27 110.356 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.5 74.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.66 112.3 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -72.01 -35.56 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.809 0.338 . . . . 0.55 110.573 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.51 -50.06 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.53 111.249 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 11.7 ptmm? -64.18 -46.88 82.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.535 -0.302 . . . . 3.03 111.679 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.06 -14.76 58.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.9 0.381 . . . . 2.28 110.386 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.87 -30.79 72.42 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.915 -0.584 . . . . 0.5 111.932 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.9 -36.82 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.087 0.47 . . . . 1.04 110.409 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.33 4.29 73.14 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.935 -0.65 . . . . 0.53 112.355 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -112.76 34.44 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.187 0.518 . . . . 0.38 110.403 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.99 69.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.719 -0.673 . . . . 0.62 111.575 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.17 3.2 36.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 2.44 111.461 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 t -145.01 54.7 1.22 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.418 0.628 . . . . 1.46 111.183 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 66.47 20.04 10.9 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.426 -0.807 . . . . 1.66 112.899 171.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 59.67 30.25 19.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.0 0.428 . . . . 0.68 111.489 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 m -124.13 123.96 67.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.096 -0.502 . . . . 1.38 109.924 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 78' ' ' ASP . 21.2 tptp -66.33 131.26 94.27 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.253 -0.647 . . . . 2.55 109.253 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.22 15.36 0.16 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.644 2.229 . . . . 1.92 113.031 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 76' ' ' LYS . 8.1 t70 -57.68 -57.44 12.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.545 -0.752 . . . . 3.52 109.5 171.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 53.56 22.93 3.22 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.534 0.568 . . . . 3.58 112.534 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.39 -41.08 4.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.613 -0.514 . . . . 1.02 109.613 175.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.472 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 38.3 mtt180 -74.96 -26.92 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.577 -0.897 . . . . 2.33 108.577 173.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.98 139.38 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.479 -1.237 . . . . 0.78 109.927 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -101.03 -41.12 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.91 110.682 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.38 146.79 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.135 -0.484 . . . . 0.36 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -154.55 140.06 17.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 1.96 110.941 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 HD23 ' A' ' 97' ' ' LEU . 71.0 p -86.28 170.21 12.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.5 110.327 177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -73.43 153.12 40.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.207 -0.664 . . . . 2.85 109.207 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 88' ' ' LEU . 2.2 tm? -73.27 110.51 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.23 -1.026 . . . . 1.24 108.23 177.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.507 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 30.5 pt -112.89 138.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.015 -0.539 . . . . 0.35 111.841 -172.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -91.56 -169.72 41.78 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.629 -0.714 . . . . 0.79 111.752 176.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.8 121.46 23.58 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.931 -0.652 . . . . 0.81 112.348 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.12 8.34 57.88 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.825 -0.702 . . . . 0.8 112.318 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 37.2 mt-10 -109.3 161.25 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 2.34 110.859 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -143.83 148.56 35.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.86 110.235 175.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 t -149.04 152.54 36.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 1.35 109.308 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.0 m -135.25 157.28 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 1.0 110.975 -175.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.566 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -138.46 158.31 44.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.26 110.089 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.8 m -126.71 126.3 43.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.464 -0.569 . . . . 1.14 109.464 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.82 159.74 23.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.988 0.423 . . . . 0.49 111.384 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -98.61 122.22 54.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.5 -0.773 . . . . 2.08 110.317 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 34.9 Cg_exo -60.51 -30.88 91.64 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.108 2.539 . . . . 0.53 113.271 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.98 -32.97 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.618 0.247 . . . . 0.62 110.593 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.83 -35.44 81.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 2.92 110.351 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 41.3 mt -79.93 -10.01 59.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 1.3 110.534 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.85 -7.27 58.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.611 . . . . 1.08 110.836 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -94.31 23.57 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 2.04 111.604 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.29 -169.85 38.52 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.847 -0.692 . . . . 0.74 111.715 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -108.55 119.83 40.65 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.784 -0.45 . . . . 2.02 109.784 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 58.5 m-85 -107.7 159.07 16.75 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.362 0.601 . . . . 0.4 112.383 -173.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -125.29 158.44 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.212 -0.903 . . . . 1.53 109.282 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.503 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 21.6 p90 -123.05 142.73 50.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.716 -0.846 . . . . 0.23 108.716 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.59 171.22 14.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.083 0.468 . . . . 0.19 112.021 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.2 t -98.54 122.34 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.98 -1.009 . . . . 0.16 108.568 173.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.2 p -92.95 11.5 27.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.15 0.426 . . . . 0.24 112.15 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.57 137.29 97.09 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.821 -0.807 . . . . 0.26 108.821 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.98 118.35 5.05 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.443 2.095 . . . . 0.49 112.51 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.87 5.33 74.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.472 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.48 -19.51 13.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.928 0.344 . . . . 0.38 111.928 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.71 -27.44 73.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.111 -0.566 . . . . 0.61 114.402 -170.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.86 40.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.355 0.577 . . . . 0.83 111.612 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.2 tp -96.29 -39.2 9.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.964 0.411 . . . . 2.13 110.892 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.435 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 10.4 mtm -97.97 83.65 3.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.273 -0.421 . . . . 0.65 111.283 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -152.79 158.19 41.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.702 -0.681 . . . . 1.13 110.007 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.18 -170.8 31.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.85 -0.69 . . . . 0.31 112.318 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 16.4 tppt? -108.18 131.87 54.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.106 0.479 . . . . 1.48 111.491 -175.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.14 119.44 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.545 -0.909 . . . . 1.11 108.545 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 26.1 m -108.62 138.63 44.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.925 -0.579 . . . . 0.97 111.418 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 104' ' ' LEU . 4.4 mm? -89.3 118.75 29.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 1.44 109.996 176.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 32.7 m -121.28 159.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 0.6 110.326 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.258 -0.428 . . . . 2.25 110.6 -178.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.355 0.122 . . . . 3.08 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.486 ' HA ' ' OD1' ' A' ' 5' ' ' ASN . 17.9 m 62.94 47.61 4.28 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.978 0.895 . . . . 3.52 110.261 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.38 -16.02 15.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.382 -0.826 . . . . 2.32 110.407 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.34 2.02 32.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.007 -0.616 . . . . 1.56 111.748 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.486 ' OD1' ' HA ' ' A' ' 2' ' ' THR . 16.4 m120 -86.88 113.06 22.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.752 0.311 . . . . 2.26 110.204 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 63.0 m -101.72 3.18 39.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.346 0.594 . . . . 0.62 110.347 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -150.4 148.31 28.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.843 -0.617 . . . . 0.32 110.157 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.98 141.9 28.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.411 -0.359 . . . . 0.27 110.456 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 m -108.5 129.47 55.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.14 0.495 . . . . 0.84 110.535 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 92.5 t -120.07 126.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.631 -0.713 . . . . 0.87 109.742 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.04 145.57 31.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.916 0.389 . . . . 1.98 110.768 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 23.0 t -132.37 137.03 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.099 -1.074 . . . . 0.97 108.099 172.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -121.46 -166.96 1.43 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.285 0.476 . . . . 1.14 112.285 -168.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.611 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 11.5 p-10 -75.35 -19.66 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.579 -0.737 . . . . 2.26 111.683 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.71 7.56 12.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.485 0.66 . . . . 1.59 110.083 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.6 mtt 62.53 59.49 1.5 Allowed 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 114.805 -1.089 . . . . 1.92 111.557 174.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.55 150.55 19.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.996 -0.547 . . . . 1.86 110.985 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -83.87 143.05 30.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.567 -0.742 . . . . 0.44 109.311 170.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -68.12 -20.26 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 2.31 111.286 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -132.92 145.63 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.327 . . . . 1.12 110.206 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -108.59 -6.87 15.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.346 0.593 . . . . 2.18 110.309 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -137.66 130.09 29.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.094 -0.503 . . . . 2.06 110.78 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.82 131.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.109 -0.496 . . . . 0.32 110.2 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -107.97 126.06 52.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.968 -0.56 . . . . 1.46 110.358 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.0 t -108.08 122.74 62.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.588 -0.733 . . . . 0.31 109.952 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.5 t -77.91 122.45 25.51 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.134 0.492 . . . . 1.16 111.005 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -69.54 -20.17 63.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.494 -0.775 . . . . 0.98 110.079 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.14 -10.68 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.684 -0.689 . . . . 0.65 110.827 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.665 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 88.4 m -95.81 142.53 27.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.972 -0.558 . . . . 0.49 109.858 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -78.33 -46.37 20.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.148 -0.478 . . . . 3.49 110.242 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -123.46 130.19 52.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.718 -0.475 . . . . 2.0 109.718 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 38.3 t80 -119.46 116.56 26.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.36 109.515 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 67.5 m -111.03 130.4 55.61 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.908 -0.587 . . . . 0.32 110.936 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.05 124.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.944 -0.571 . . . . 0.23 110.151 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -103.85 124.01 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.282 -0.417 . . . . 0.28 110.694 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 33.3 tp -99.91 130.75 46.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.554 . . . . 0.2 109.584 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.88 116.7 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.069 0.461 . . . . 2.62 110.064 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.4 t60 -100.71 98.92 9.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.107 0.479 . . . . 0.29 110.526 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -81.86 146.17 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.609 -0.723 . . . . 1.6 109.445 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.55 166.0 10.88 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.095 -0.802 . . . . 1.16 111.095 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.0 p -111.78 20.18 17.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.212 0.506 . . . . 1.53 110.972 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -99.34 133.58 21.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.128 -0.487 . . . . 2.08 110.958 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.66 158.22 57.86 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.356 2.704 . . . . 0.49 112.319 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -71.85 -15.74 62.13 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.753 -0.658 . . . . 1.82 111.936 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.89 61.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.853 0.358 . . . . 0.59 111.153 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 p -112.14 -51.33 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 1.51 110.873 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.611 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 50.6 ttm -126.46 67.17 1.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.524 0.678 . . . . 1.13 110.168 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.03 153.08 21.0 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 110.995 -0.842 . . . . 0.14 110.995 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.459 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 87.6 m-70 -134.9 150.35 50.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.59 -0.444 . . . . 0.15 110.947 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -142.4 169.72 17.05 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 1.48 108.823 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 tt -132.28 112.39 12.19 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.426 -0.583 . . . . 0.22 109.426 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.8 m -110.33 149.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.717 -0.674 . . . . 1.46 110.273 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -124.31 118.92 55.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.835 -0.432 . . . . 0.51 109.835 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -147.62 177.43 9.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.677 . . . . 0.32 111.21 -174.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -66.35 128.97 38.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.751 -0.659 . . . . 1.46 110.475 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB2' ' HG3' ' A' ' 110' ' ' LYS . . . -61.41 -31.06 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 0.77 112.282 -176.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.83 -13.34 59.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.406 -0.361 . . . . 2.89 111.811 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -122.76 14.95 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.576 0.703 . . . . 2.15 109.447 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 9.5 tpt -65.24 -34.42 78.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.272 -0.876 . . . . 0.78 110.984 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.22 -38.45 89.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 2.27 110.456 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.94 -31.12 79.89 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.732 -0.667 . . . . 0.66 111.611 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.22 -40.81 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.55 110.276 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -72.86 -30.33 63.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.53 110.754 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -72.0 -49.18 39.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 3.03 110.747 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.16 -16.33 59.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.17 -0.468 . . . . 2.28 110.713 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.08 -48.26 33.37 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.966 -0.561 . . . . 0.5 112.762 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -61.93 -30.22 48.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 1.04 110.913 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.22 14.83 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.53 112.548 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.439 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -127.02 51.03 1.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.202 0.525 . . . . 0.38 110.38 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.815 -0.63 . . . . 0.62 111.946 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.14 -0.18 30.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.712 0.292 . . . . 2.44 111.494 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 75' ' ' VAL . 19.0 p -128.19 44.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.739 0.304 . . . . 1.46 111.033 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 59.6 26.91 16.01 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.841 -0.618 . . . . 1.66 112.043 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CD2' HD11 ' A' ' 88' ' ' LEU . 42.4 m-85 62.43 31.89 16.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.68 111.537 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 72' ' ' THR . 13.5 m -132.53 154.9 40.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 1.38 110.222 175.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -108.32 89.8 6.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.92 -0.4 . . . . 2.55 109.92 175.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 75' ' ' VAL . 22.6 Cg_exo -65.07 -19.45 63.37 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.748 2.299 . . . . 1.92 113.313 -176.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -96.47 11.99 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.664 0.269 . . . . 3.52 111.298 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -102.37 151.09 22.68 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.888 -0.412 . . . . 3.58 109.888 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.1 -7.07 56.5 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.192 0.441 . . . . 1.02 112.192 -173.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -78.14 -20.26 52.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.209 0.528 . . . . 2.33 109.849 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.4 t -94.55 126.02 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.573 -0.74 . . . . 0.78 110.624 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.96 -44.06 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 0.91 110.087 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.14 156.62 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.36 110.179 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -158.2 152.9 24.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.665 0.269 . . . . 1.96 110.605 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.505 HG23 HD23 ' A' ' 97' ' ' LEU . 67.1 p -95.41 -179.16 4.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.195 -0.669 . . . . 0.5 109.195 169.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -99.7 168.52 9.87 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.519 -0.549 . . . . 2.85 109.519 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.545 HD11 ' CD2' ' A' ' 74' ' ' TYR . 24.0 mt -71.65 120.73 17.66 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.723 0.297 . . . . 1.24 110.659 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 28.7 pt -120.94 142.31 37.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.11 -0.495 . . . . 0.35 110.836 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.89 -168.17 30.75 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.79 111.691 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.6 116.93 9.23 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.785 -0.721 . . . . 0.81 111.996 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 99.23 20.52 17.75 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.779 -0.724 . . . . 0.8 112.283 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 49.9 mt-10 -129.88 157.1 43.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.868 0.366 . . . . 2.34 110.981 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -131.18 152.94 49.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 1.86 109.833 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.1 p -142.33 169.38 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 1.35 109.803 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -151.36 156.64 41.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 1.0 111.58 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.505 HD23 HG23 ' A' ' 86' ' ' THR . 4.5 pp -138.16 158.93 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.582 -0.735 . . . . 0.26 109.406 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.4 m -135.47 132.34 37.27 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.43 -0.581 . . . . 1.14 109.43 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.41 157.63 42.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.06 0.457 . . . . 0.49 111.101 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.32 115.41 64.02 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.266 -0.879 . . . . 2.08 109.417 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.592 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 50.6 Cg_exo -53.54 -30.77 56.01 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.172 2.581 . . . . 0.53 113.685 -176.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.44 -17.76 64.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 0.62 111.293 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -80.15 -11.68 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 2.92 110.584 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.424 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 55.6 mt -94.47 3.48 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 1.3 110.939 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.64 39.64 1.04 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.052 -0.522 . . . . 1.08 110.482 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.56 12.18 6.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 2.04 111.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 140.14 -168.45 25.09 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.248 -0.977 . . . . 0.74 112.58 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.97 123.39 33.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.986 -0.375 . . . . 2.02 109.986 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 57.7 m-85 -106.26 153.28 22.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.4 111.294 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HG3' ' HB2' ' A' ' 56' ' ' ALA . 48.1 mtpt -124.51 156.66 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.977 -0.556 . . . . 1.53 110.275 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.626 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 40.3 p90 -115.79 145.6 42.68 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.387 -0.968 . . . . 0.23 108.387 170.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.24 165.05 29.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.276 0.473 . . . . 0.19 112.276 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 49.7 t -99.94 119.79 38.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.808 -1.087 . . . . 0.16 108.233 172.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.2 p -90.33 16.77 8.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 0.24 111.825 -174.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -70.45 137.86 86.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.242 -0.651 . . . . 0.26 109.242 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 113.52 1.19 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.893 2.396 . . . . 0.49 112.973 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 95.57 -7.05 68.21 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.5 112.469 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -100.35 -29.57 12.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.734 -0.274 . . . . 0.38 111.421 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 113' ' ' CYS . . . -55.08 -49.29 63.5 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 114.548 0.579 . . . . 0.61 114.548 -170.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.93 -20.41 64.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.837 0.351 . . . . 0.83 111.589 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.5 tp -98.94 -44.57 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.381 -0.372 . . . . 2.13 111.315 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.8 mtt -98.92 82.44 2.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.987 0.422 . . . . 0.65 110.504 -172.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -153.43 153.15 31.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.742 -0.663 . . . . 1.13 110.461 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -154.15 -162.87 11.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.246 -0.741 . . . . 0.31 111.246 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -107.69 140.16 41.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.317 0.558 . . . . 1.48 112.125 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 111' ' ' PHE . 88.4 t -115.66 103.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.724 -0.843 . . . . 1.11 108.724 171.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 39.9 m -109.08 134.22 51.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.173 0.511 . . . . 0.97 111.573 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.58 123.62 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.524 -0.762 . . . . 1.44 109.855 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.65 154.68 14.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.421 . . . . 0.6 110.713 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 2.25 110.305 -178.055 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.032 -0.359 . . . . 3.08 110.032 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.2 m -139.52 -62.66 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.79 0.329 . . . . 3.52 111.373 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.91 -15.17 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.099 0.407 . . . . 2.32 112.099 -173.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.78 36.9 3.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.571 -0.823 . . . . 1.56 112.742 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -121.32 107.97 13.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.664 -0.315 . . . . 2.26 110.791 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 65.4 m -111.25 -8.91 14.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.159 0.504 . . . . 0.62 110.334 177.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.8 150.54 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.646 -0.707 . . . . 0.32 110.506 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.06 154.72 42.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 0.27 110.461 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 m -123.56 127.97 49.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.989 0.424 . . . . 0.84 110.637 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -116.94 130.96 70.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.871 -0.604 . . . . 0.87 109.977 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.08 129.03 48.3 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.304 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.8 p -118.28 135.22 54.42 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.241 -0.651 . . . . 0.97 109.241 175.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -122.5 -165.5 1.3 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.875 -0.33 . . . . 1.14 110.963 -173.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -90.13 4.29 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 2.26 111.763 -175.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -95.41 9.52 39.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.959 0.409 . . . . 1.59 110.4 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mtt 62.46 54.74 2.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.382 -0.827 . . . . 1.92 111.14 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -154.18 154.46 33.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.219 -0.446 . . . . 1.86 111.19 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE2' ' HG2' ' A' ' 122' ' ' MET . 60.4 m-85 -98.85 155.43 17.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.103 -1.073 . . . . 0.44 108.103 168.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -78.96 1.0 25.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 2.31 110.949 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -156.21 136.25 12.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.239 -0.437 . . . . 1.12 110.047 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -105.04 17.63 23.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.116 0.484 . . . . 2.18 110.172 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 30.7 t70 -143.64 134.36 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.672 -0.694 . . . . 2.06 110.531 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.2 mt -127.97 133.7 66.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.759 -0.46 . . . . 0.32 109.759 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -103.95 117.54 34.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.128 -0.487 . . . . 1.46 110.467 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 101' ' ' PRO . 85.9 t -107.2 120.92 59.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.068 -0.515 . . . . 0.31 110.208 178.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -77.43 121.35 23.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.039 0.447 . . . . 1.16 110.98 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.54 -19.05 60.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.784 -0.644 . . . . 0.98 110.672 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.98 63.1 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.409 0.623 . . . . 0.65 109.847 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 78.5 m -86.98 144.44 26.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.296 -0.865 . . . . 0.49 109.145 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 10.9 mptt -88.81 -23.75 22.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.752 0.311 . . . . 3.49 110.298 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -141.42 139.7 33.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 2.0 109.965 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -121.3 132.66 54.92 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.845 -0.428 . . . . 0.36 109.845 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 88.9 m -112.75 132.92 55.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.035 0.445 . . . . 0.32 111.137 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.09 130.43 74.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.088 -0.505 . . . . 0.23 110.094 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -110.24 126.35 54.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.28 -0.418 . . . . 0.28 110.462 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 tp -103.15 124.64 48.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.097 -0.501 . . . . 0.2 110.016 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -113.26 108.53 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.232 -0.44 . . . . 2.62 110.17 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.5 t60 -88.35 93.4 9.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.775 -0.454 . . . . 0.29 109.775 177.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 p -82.67 56.6 3.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.574 -0.739 . . . . 1.6 111.234 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.576 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -143.15 158.45 27.23 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.847 -0.901 . . . . 1.16 110.847 177.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -104.53 18.53 22.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.149 0.474 . . . . 1.53 111.854 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -99.47 136.52 20.36 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.168 -0.469 . . . . 2.08 110.466 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -65.42 153.11 79.7 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.4 2.733 . . . . 0.49 112.549 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -67.08 -19.03 65.59 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.659 -0.7 . . . . 1.82 111.831 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.46 -10.23 59.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.399 -0.364 . . . . 0.59 111.24 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 t -121.93 -55.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 1.51 110.311 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 tpp -127.54 68.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.651 0.738 . . . . 1.13 109.284 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.8 152.51 20.33 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 114.999 -1.0 . . . . 0.14 111.405 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 85.6 m-70 -134.25 151.36 51.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.991 0.424 . . . . 0.15 110.65 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -146.78 168.79 20.51 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.365 -0.834 . . . . 1.48 108.916 172.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 8.8 tt -133.37 117.24 17.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.723 -0.473 . . . . 0.22 109.723 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 7.4 p -117.81 146.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.891 -0.595 . . . . 1.46 109.686 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.414 HD12 ' CD2' ' A' ' 99' ' ' LEU . 46.4 mt -121.25 123.68 70.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.376 -0.375 . . . . 0.51 110.21 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.577 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -148.04 174.12 12.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 0.32 110.708 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.59 127.65 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 1.46 109.951 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HB2' ' A' ' 59' ' ' MET . . . -56.58 -32.93 65.69 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.378 0.881 . . . . 0.77 113.378 -169.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.62 -9.17 59.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.73 0.3 . . . . 2.89 111.516 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.83 8.12 8.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.665 0.745 . . . . 2.15 109.853 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.577 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 12.0 tpt -65.11 -34.87 79.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.361 -0.836 . . . . 0.78 110.884 -175.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 1.8 m-20 -62.3 -35.7 79.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.27 110.635 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.01 -28.81 72.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.892 -0.671 . . . . 0.66 111.681 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 81' ' ' ARG . 43.6 t -65.56 -39.97 86.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.55 110.386 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -68.59 -31.74 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.53 110.709 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.5 mtpt -69.68 -39.06 77.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.531 . . . . 3.03 110.32 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 76' ' ' LYS . 93.3 m-20 -73.89 -28.48 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.093 -0.503 . . . . 2.28 110.403 176.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 -44.87 48.49 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.556 -0.747 . . . . 0.5 113.224 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.71 -19.11 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.386 . . . . 1.04 111.39 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.38 16.32 55.31 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.57 -0.824 . . . . 0.53 112.412 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.415 ' HB1' ' CG2' ' A' ' 72' ' ' THR . . . -132.03 48.72 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.99 0.424 . . . . 0.38 111.447 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.62 111.479 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.81 -15.65 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 2.44 111.614 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.415 ' CG2' ' HB1' ' A' ' 69' ' ' ALA . 3.2 t -131.54 55.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.66 0.743 . . . . 1.46 110.932 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 56.8 28.2 14.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.058 -0.973 . . . . 1.66 112.489 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.497 ' CD2' HD11 ' A' ' 88' ' ' LEU . 47.3 m-85 60.65 39.52 17.58 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.114 0.566 . . . . 0.68 112.192 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.0 m -140.86 127.06 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 1.38 110.088 170.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 65' ' ' ASP . 88.1 tttt -72.37 134.03 82.73 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 109.096 -0.705 . . . . 2.55 109.096 177.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -67.67 52.91 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.9 2.4 . . . . 1.92 112.784 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.07 -29.29 23.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.0 -0.545 . . . . 3.52 110.138 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.31 -37.57 0.38 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.402 -0.817 . . . . 3.58 113.004 176.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.92 -39.17 64.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 1.02 110.505 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' HB3' HG22 ' A' ' 62' ' ' VAL . 71.5 mtt180 -80.35 -2.41 45.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.063 -0.517 . . . . 2.33 111.133 175.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.5 t -130.28 84.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 0.78 110.294 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.32 -39.22 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.505 0.669 . . . . 0.91 109.683 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -162.95 151.15 13.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.883 -1.053 . . . . 0.36 109.251 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 30.4 t-80 -156.62 133.88 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 1.96 111.703 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.604 HG23 HD23 ' A' ' 97' ' ' LEU . 30.9 p -88.73 145.5 25.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.5 109.884 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.55 154.34 42.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.547 -0.297 . . . . 2.85 110.611 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.497 HD11 ' CD2' ' A' ' 74' ' ' TYR . 34.9 mt -60.97 114.66 3.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.165 -0.47 . . . . 1.24 110.108 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 14.0 pt -109.24 135.01 49.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-O 121.198 0.523 . . . . 0.35 111.238 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.92 -139.33 10.75 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.066 -0.97 . . . . 0.79 112.866 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -69.62 110.87 3.55 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.303 -0.475 . . . . 0.81 113.225 -174.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.61 28.82 58.75 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.855 -0.688 . . . . 0.8 112.807 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 59.0 mt-10 -113.96 161.21 17.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 2.34 110.783 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -143.07 153.15 42.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.506 -0.77 . . . . 1.86 109.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.535 ' OG ' ' HB ' ' A' ' 86' ' ' THR . 15.5 p -148.87 153.47 38.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.675 0.274 . . . . 1.35 110.433 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -128.75 158.92 37.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 1.0 110.792 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.604 HD23 HG23 ' A' ' 86' ' ' THR . 4.2 pp -138.44 161.27 37.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.26 109.61 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 36.3 m -135.04 131.78 37.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.251 -0.648 . . . . 1.14 109.251 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' A' ' 53' ' ' ILE . 3.6 pp -129.37 158.87 37.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.371 . . . . 0.49 111.261 -175.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.05 111.46 54.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.618 -0.719 . . . . 2.08 109.794 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.416 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 31.0 Cg_endo -63.99 -19.8 66.97 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.997 2.465 . . . . 0.53 113.414 -173.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.45 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.053 0.454 . . . . 0.62 110.99 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -81.18 -22.43 38.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 2.92 110.614 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.96 -8.54 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 1.3 110.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.32 -6.16 50.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 1.08 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.1 -31.22 62.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.84 -0.618 . . . . 2.04 111.438 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.7 -147.45 8.45 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.928 -1.129 . . . . 0.74 113.169 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.55 115.49 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 2.02 110.136 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 13.6 m-85 -107.7 151.92 25.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.176 -0.466 . . . . 0.4 111.647 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.408 ' HG2' ' HD2' ' A' ' 125' ' ' LYS . 63.0 mtpt -137.65 159.62 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 1.53 110.381 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 38.6 p90 -122.43 150.14 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.17 -0.678 . . . . 0.23 109.17 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.62 164.92 19.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.19 111.672 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 41.0 t -92.94 121.45 34.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.992 -1.004 . . . . 0.16 108.359 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.1 p -88.88 15.54 8.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.063 0.394 . . . . 0.24 112.063 -173.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -69.58 131.47 89.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.746 -0.835 . . . . 0.26 108.746 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.58 115.43 2.39 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.922 2.415 . . . . 0.49 112.523 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.98 -30.62 9.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.438 -0.665 . . . . 0.5 111.438 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -80.17 -44.25 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.619 0.247 . . . . 0.38 110.464 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -16.95 20.9 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 114.342 0.497 . . . . 0.61 114.342 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.1 -32.69 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.986 0.393 . . . . 0.83 111.77 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.82 -7.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 2.13 111.784 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.496 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 9.2 ttm -109.8 73.85 0.86 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.37 0.605 . . . . 0.65 109.687 -175.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -143.01 168.59 19.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.269 -0.878 . . . . 1.13 110.824 -174.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -165.61 -176.32 36.95 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.851 -0.69 . . . . 0.31 112.188 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 28.3 mmmt -104.64 132.61 50.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.672 0.272 . . . . 1.48 110.447 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.5 p -110.79 115.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.007 -0.738 . . . . 1.11 109.007 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.5 m -104.98 131.99 51.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.437 -0.801 . . . . 0.97 111.144 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.73 112.74 21.33 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.068 -0.715 . . . . 1.44 109.068 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.72 172.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.767 -0.651 . . . . 0.6 110.491 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.247 -0.433 . . . . 2.25 111.343 -179.031 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.728 0.299 . . . . 3.08 110.567 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.7 p -97.39 -62.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.784 0.326 . . . . 3.52 111.343 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.48 13.88 29.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.022 0.439 . . . . 2.32 110.75 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.55 36.94 3.65 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.114 -0.565 . . . . 1.56 112.341 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -99.83 107.98 20.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.007 -0.368 . . . . 2.26 110.007 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 62.9 m -109.68 -9.16 14.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.288 0.566 . . . . 0.62 110.373 178.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.96 154.03 33.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 0.32 110.254 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.44 26.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.0 -0.545 . . . . 0.27 110.211 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -109.64 115.4 29.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.993 0.425 . . . . 0.84 110.118 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.9 t -108.26 122.97 63.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.944 -0.571 . . . . 0.87 109.915 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.546 ' H ' ' HB2' ' A' ' 19' ' ' ASN . 32.8 mt-10 -93.84 143.07 26.67 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 1.98 109.843 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -132.13 136.84 47.4 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.305 -0.628 . . . . 0.97 109.305 175.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -125.61 -176.58 3.64 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.921 -0.312 . . . . 1.14 110.841 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -83.75 2.26 38.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 2.26 110.368 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -88.39 5.0 44.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 1.59 110.35 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.0 mtp 67.01 54.76 0.74 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.306 -0.861 . . . . 1.92 111.362 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -157.95 171.33 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.86 110.533 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -115.2 172.89 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.44 110.994 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.546 ' HB2' ' H ' ' A' ' 11' ' ' GLU . 23.3 t-20 -66.58 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 2.31 110.525 173.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -147.76 159.82 43.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.583 . . . . 1.12 110.156 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -118.24 7.86 12.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 2.18 109.39 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.21 135.83 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.168 -0.924 . . . . 2.06 110.0 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.18 129.97 67.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.435 . . . . 0.32 110.075 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -107.58 114.1 27.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.07 -0.513 . . . . 1.46 110.825 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.06 118.46 45.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 0.31 110.292 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.408 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 22.5 m -80.85 121.95 26.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.062 0.458 . . . . 1.16 110.571 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.04 -24.69 67.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.669 -0.696 . . . . 0.98 112.431 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.48 6.89 9.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.044 0.449 . . . . 0.65 111.539 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 26' ' ' SER . 71.5 m -100.63 141.24 33.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.194 -0.457 . . . . 0.49 110.396 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -64.71 -50.07 68.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.83 -0.623 . . . . 3.49 110.292 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -138.97 148.9 44.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 2.0 109.806 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.1 t80 -108.74 115.75 30.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.354 -0.61 . . . . 0.36 109.354 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -97.86 109.08 21.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.253 0.549 . . . . 0.32 111.406 -174.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -100.04 120.35 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 0.23 109.906 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -108.56 121.94 46.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.289 -0.414 . . . . 0.28 110.803 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 30.4 tp -100.88 126.45 47.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.037 -0.529 . . . . 0.2 109.878 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -120.63 110.12 16.05 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.28 -0.418 . . . . 2.62 109.938 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 12' ' ' SER . 1.1 t60 -85.21 91.86 8.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 0.29 110.126 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -82.38 77.16 9.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.081 -0.963 . . . . 1.6 110.372 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.04 -175.42 22.91 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.585 -1.006 . . . . 1.16 110.585 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.5 p -125.08 13.87 8.41 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 117.186 0.493 . . . . 1.53 111.34 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 13.7 mm100 -93.03 135.71 25.52 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.21 -0.45 . . . . 2.08 111.173 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.63 154.48 68.21 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.863 2.375 . . . . 0.49 111.38 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -67.13 -15.69 63.87 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.605 0.594 . . . . 1.82 112.605 -171.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.7 -12.78 59.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.934 0.397 . . . . 0.59 111.104 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -111.79 -58.38 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.386 -0.37 . . . . 1.51 110.277 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.422 ' HB3' ' CB ' ' A' ' 42' ' ' GLN . 56.7 tpp -133.38 71.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.324 0.583 . . . . 1.13 109.632 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.38 152.26 20.14 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.458 -0.792 . . . . 0.14 111.299 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.455 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 86.5 m-70 -135.42 153.4 51.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.15 110.886 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -143.49 175.26 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.624 -0.716 . . . . 1.48 109.135 169.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -135.02 114.31 12.33 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.41 -0.589 . . . . 0.22 109.41 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 21.6 m -110.74 149.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 1.46 110.633 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.3 mm -116.01 116.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.949 -0.569 . . . . 0.51 109.676 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.74 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -148.9 172.23 15.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 0.32 110.773 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.7 150.33 37.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.391 -0.368 . . . . 1.46 110.825 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.93 -51.42 63.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.365 . . . . 0.77 111.945 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.76 -27.6 65.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 2.89 111.777 -176.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -97.06 -0.34 47.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.996 0.427 . . . . 2.15 110.917 -174.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.74 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 7.2 tpt -67.22 -35.07 78.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 0.78 110.874 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.97 -41.27 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 2.27 111.039 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.93 -29.9 73.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.799 -0.715 . . . . 0.66 111.866 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.63 -45.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.744 0.307 . . . . 0.55 110.573 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.476 ' O ' HG23 ' A' ' 67' ' ' VAL . 44.4 m-85 -65.35 -41.13 94.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.405 -0.361 . . . . 0.53 110.681 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -61.22 -49.19 78.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 3.03 110.857 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.22 -30.37 64.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 2.28 109.952 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.64 92.63 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.364 -0.834 . . . . 0.5 112.725 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 63' ' ' PHE . 87.2 t -61.03 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 1.04 110.678 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.87 8.45 79.78 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.908 -0.663 . . . . 0.53 112.128 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 72' ' ' THR . . . -116.34 41.23 2.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.501 . . . . 0.38 110.641 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.11 67.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.62 111.604 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 -11.77 59.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.954 -0.567 . . . . 2.44 111.81 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.428 ' CG2' ' HB1' ' A' ' 69' ' ' ALA . 5.4 t -130.81 54.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.603 0.716 . . . . 1.46 111.174 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 63.51 23.38 13.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.264 -0.88 . . . . 1.66 112.315 171.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 60.47 35.58 20.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.005 -0.543 . . . . 0.68 111.563 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.558 ' O ' ' HD3' ' A' ' 77' ' ' PRO . 8.0 p -155.32 136.22 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 1.38 109.957 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -81.44 107.12 7.12 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 2.55 110.592 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.558 ' HD3' ' O ' ' A' ' 75' ' ' VAL . 24.1 Cg_exo -64.92 -26.55 59.1 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.858 2.372 . . . . 1.92 112.718 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -98.35 25.75 6.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.863 0.363 . . . . 3.52 110.954 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.43 139.83 37.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.956 -0.387 . . . . 3.58 109.956 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.19 -16.58 39.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.36 -0.382 . . . . 1.02 111.791 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -71.82 -29.86 64.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.962 0.411 . . . . 2.33 110.127 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 t -89.0 117.88 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.651 -0.704 . . . . 0.78 110.051 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.01 -44.0 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 0.91 110.186 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.32 156.64 26.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.408 -0.814 . . . . 0.36 109.579 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -151.97 150.4 29.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.921 0.391 . . . . 1.96 110.872 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.489 HG23 HD23 ' A' ' 97' ' ' LEU . 76.8 p -89.51 176.47 6.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.714 -0.847 . . . . 0.5 108.714 169.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -90.37 164.22 14.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.501 -0.555 . . . . 2.85 109.501 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -80.09 100.75 8.36 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.049 -0.723 . . . . 1.24 109.049 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.2 pt -103.71 147.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.343 0.592 . . . . 0.35 112.163 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.32 -171.96 32.29 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.174 -0.921 . . . . 0.79 111.683 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.45 112.89 5.13 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.073 -0.584 . . . . 0.81 112.595 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.16 -9.23 18.06 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.631 -0.795 . . . . 0.8 112.55 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -106.99 156.0 19.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 2.34 111.249 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -123.67 156.95 34.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.485 -0.78 . . . . 1.86 109.691 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 t -153.15 141.22 20.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 1.35 109.779 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 m -129.33 161.57 29.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 1.0 111.012 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -142.98 159.77 41.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 0.26 109.874 176.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -128.39 124.39 36.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 1.14 110.37 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.2 pp -121.1 154.86 35.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.777 -0.453 . . . . 0.49 109.777 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.9 p30 -95.42 135.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.921 -0.4 . . . . 2.08 109.921 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 17.8 Cg_exo -67.0 -12.24 35.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.792 2.328 . . . . 0.53 112.872 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.36 75.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.78 0.324 . . . . 0.62 110.697 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -67.12 -31.57 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.304 -0.407 . . . . 2.92 110.767 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.587 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -82.27 -17.71 44.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.839 0.352 . . . . 1.3 111.014 -178.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.19 60.94 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.11 -0.495 . . . . 1.08 110.472 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -167.97 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 2.04 111.813 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.5 -173.73 18.84 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.655 -1.26 . . . . 0.74 113.742 -175.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.74 117.15 29.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.749 -0.463 . . . . 2.02 109.749 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.587 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 40.6 m-85 -106.92 154.54 20.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.336 0.588 . . . . 0.4 112.038 -176.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.28 154.79 45.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.521 -0.763 . . . . 1.53 109.353 175.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 48.1 p90 -115.39 153.84 30.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.308 -0.627 . . . . 0.23 109.308 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.21 167.17 18.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.571 0.582 . . . . 0.19 112.571 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 44.9 t -96.23 124.59 40.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.444 -1.253 . . . . 0.16 108.304 171.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.8 p -92.84 11.0 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.299 0.481 . . . . 0.24 112.299 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -63.75 134.35 95.87 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.336 -0.616 . . . . 0.26 109.336 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.16 107.79 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.107 2.538 . . . . 0.49 113.324 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.93 -25.63 23.33 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.724 -0.671 . . . . 0.5 112.191 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -79.12 -36.4 40.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.544 0.212 . . . . 0.38 111.167 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.13 -30.9 61.31 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 116.17 -0.468 . . . . 0.61 114.147 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.28 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.813 0.301 . . . . 0.83 111.813 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 32.9 tp -120.16 -38.81 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 2.13 111.435 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.413 ' HE1' ' HE1' ' A' ' 49' ' ' HIS . 38.3 mtt -90.51 72.76 6.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.947 0.403 . . . . 0.65 110.713 -174.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -147.12 149.08 32.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 1.13 110.274 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.51 13.49 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.798 -0.637 . . . . 0.31 111.88 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -104.08 141.48 36.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 1.48 111.107 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.21 114.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.209 -0.663 . . . . 1.11 109.209 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.9 m -116.72 141.21 48.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.583 -0.735 . . . . 0.97 111.38 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 20.0 tp -80.6 125.11 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.744 -0.662 . . . . 1.44 109.456 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.0 m -110.17 154.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.251 0.548 . . . . 0.6 111.019 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 2.25 110.477 -175.847 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.565 0.222 . . . . 3.08 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p -62.73 115.35 4.25 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.343 -0.39 . . . . 3.52 110.658 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.606 ' HA ' ' OG ' ' A' ' 26' ' ' SER . . . 60.63 41.42 15.31 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.936 -0.575 . . . . 2.32 110.604 -176.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.33 33.58 1.68 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.789 -0.72 . . . . 1.56 112.369 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -159.74 135.64 8.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.956 0.408 . . . . 2.26 110.836 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.539 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 64.7 m -119.74 -16.03 8.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.017 -0.538 . . . . 0.62 110.667 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -145.84 146.01 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.009 -0.541 . . . . 0.32 110.386 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 140.02 50.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.221 -0.445 . . . . 0.27 110.846 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 m -105.15 122.87 46.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.21 -0.45 . . . . 0.84 110.128 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 57.4 t -122.2 130.5 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.751 -0.462 . . . . 0.87 109.751 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.97 142.62 44.15 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.618 -0.512 . . . . 1.98 109.618 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -122.56 134.35 54.54 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.144 -0.687 . . . . 0.97 109.144 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -113.83 -170.48 1.71 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.138 0.494 . . . . 1.14 111.832 -169.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.733 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 7.3 p-10 -84.05 5.56 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.703 -0.68 . . . . 2.26 111.145 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.411 HD22 ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -96.64 7.02 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.185 0.517 . . . . 1.59 109.896 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.25 53.09 5.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.875 -1.057 . . . . 1.92 111.176 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -155.56 154.54 31.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 1.86 110.61 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 48.5 m-85 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.44 109.869 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -61.61 -21.27 64.21 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.867 -0.606 . . . . 2.31 111.931 176.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -138.39 160.89 38.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.188 0.518 . . . . 1.12 111.567 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -115.65 -7.0 12.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 2.18 110.521 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 7.5 p-10 -143.62 136.04 27.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 2.06 110.922 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 93.3 mt -128.91 130.28 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.706 -0.479 . . . . 0.32 109.706 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -108.06 125.03 51.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.291 -0.413 . . . . 1.46 110.408 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -103.08 117.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.054 -0.521 . . . . 0.31 110.404 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.606 ' OG ' ' HA ' ' A' ' 3' ' ' ALA . 47.2 t -74.7 125.54 28.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.007 -0.542 . . . . 1.16 110.747 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 130' ' ' ASP . 19.8 ptpt -75.78 -9.18 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.98 110.362 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.56 -1.08 22.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.271 0.558 . . . . 0.65 110.398 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 85.9 m -112.02 138.47 48.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.529 -0.76 . . . . 0.49 109.612 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -74.75 -32.73 62.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.232 0.539 . . . . 3.49 109.798 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.93 139.91 45.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.587 -0.733 . . . . 2.0 109.987 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -117.87 124.24 47.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.317 -0.623 . . . . 0.36 109.317 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 27.5 m -108.32 132.77 53.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.32 110.929 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -120.37 123.39 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.194 -0.457 . . . . 0.23 109.925 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -105.3 120.57 41.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.293 -0.412 . . . . 0.28 110.239 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 28.6 tp -106.63 129.28 54.57 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.064 -0.516 . . . . 0.2 109.698 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -129.13 128.37 43.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 2.62 110.132 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.575 ' O ' ' HA2' ' A' ' 92' ' ' GLY . 0.9 OUTLIER -87.02 102.26 14.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.663 -0.699 . . . . 0.29 110.066 -176.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 p -79.42 53.87 1.62 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.724 0.773 . . . . 1.6 110.599 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.43 129.28 2.65 Favored Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 115.19 -0.914 . . . . 1.16 110.88 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -82.55 10.09 8.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.467 0.651 . . . . 1.53 110.774 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.59 131.58 60.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 2.08 110.467 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.09 157.68 55.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.569 2.846 . . . . 0.49 112.426 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -69.76 -16.79 63.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.627 -0.715 . . . . 1.82 112.077 -171.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -20.53 45.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.441 -0.345 . . . . 0.59 110.881 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -105.65 -46.79 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.449 . . . . 1.51 110.782 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.733 ' SD ' ' HA ' ' A' ' 14' ' ' ASP . 47.2 ttm -152.07 80.59 1.26 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.296 0.57 . . . . 1.13 110.102 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.47 158.2 19.36 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.795 -0.716 . . . . 0.14 111.431 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 82.1 m-70 -131.27 151.46 51.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.357 -0.537 . . . . 0.15 111.058 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.75 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 30.3 t30 -151.71 136.0 16.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.263 -0.881 . . . . 1.48 109.078 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -111.49 115.56 29.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.047 0.451 . . . . 0.22 110.038 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 20.5 m -114.6 146.41 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.803 -0.635 . . . . 1.46 110.528 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.0 mt -114.59 117.54 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.27 -0.423 . . . . 0.51 109.868 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.56 172.72 12.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 0.32 110.801 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -70.52 139.54 51.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.736 -0.665 . . . . 1.46 110.381 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.87 -57.7 4.67 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.186 0.81 . . . . 0.77 113.186 -172.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -85.37 0.99 50.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.84 0.311 . . . . 2.89 111.84 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -100.73 -7.88 23.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 2.15 110.082 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 mmt -54.0 -35.44 61.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.581 -0.736 . . . . 0.78 111.929 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -55.83 -44.92 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 2.27 110.822 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.28 -31.09 64.03 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.929 -0.653 . . . . 0.66 111.533 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.91 -46.51 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.216 . . . . 0.55 110.536 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -65.79 -40.84 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.543 0.211 . . . . 0.53 110.74 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -58.27 -54.87 42.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 3.03 110.848 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . 1.9 m-20 -77.33 -15.44 59.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 2.28 111.0 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.05 -48.16 8.63 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.118 -0.563 . . . . 0.5 111.931 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.1 -32.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 1.04 109.877 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.11 16.45 33.16 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.649 -0.705 . . . . 0.53 112.243 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.49 43.31 2.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.211 0.529 . . . . 0.38 110.161 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.62 -30.93 69.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.591 -0.731 . . . . 0.62 111.568 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.37 -11.95 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 2.44 111.531 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.5 t -135.06 60.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.507 0.67 . . . . 1.46 111.484 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.92 20.73 11.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.366 -0.834 . . . . 1.66 112.898 170.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 60.77 33.34 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.68 111.257 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.05 141.0 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.281 -0.637 . . . . 1.38 109.281 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HD2' ' HB3' ' A' ' 65' ' ' ASP . 83.5 tttt -84.7 118.14 70.35 Favored Pre-proline 0 C--N 1.319 -0.73 0 C-N-CA 120.825 -0.35 . . . . 2.55 110.278 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.93 102.03 0.1 Allowed 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.595 2.197 . . . . 1.92 110.844 173.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -176.89 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.44 -0.8 . . . . 3.52 109.719 -171.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 62.53 19.45 11.24 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.453 -1.249 . . . . 3.58 113.036 171.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -94.11 -38.0 11.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.938 0.399 . . . . 1.02 110.656 176.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -89.56 -0.78 57.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.228 0.537 . . . . 2.33 110.08 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.25 123.06 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.723 -0.672 . . . . 0.78 109.675 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -75.63 -42.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.126 0.489 . . . . 0.91 110.213 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.27 151.7 21.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.566 -0.743 . . . . 0.36 109.915 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -154.95 140.47 17.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.887 0.375 . . . . 1.96 111.138 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.524 HG23 HD23 ' A' ' 97' ' ' LEU . 32.2 p -83.18 -179.27 7.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.5 109.431 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -105.22 155.3 19.19 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.726 -0.472 . . . . 2.85 109.726 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 tp -66.29 115.57 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 1.24 110.758 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.3 pt -113.95 138.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 0.35 111.737 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -140.53 164.2 26.35 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.79 112.066 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.37 20.89 63.81 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 114.49 0.556 . . . . 0.81 114.49 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 38' ' ' HIS . . . 103.19 5.48 46.47 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.318 -0.944 . . . . 0.8 113.503 176.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.07 166.57 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 2.34 111.081 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.54 157.5 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.765 -0.652 . . . . 1.86 110.778 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.2 t -154.65 151.55 28.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.311 -0.626 . . . . 1.35 109.311 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -130.84 157.19 43.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.833 0.349 . . . . 1.0 110.959 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.524 HD23 HG23 ' A' ' 86' ' ' THR . 4.4 pp -134.51 159.32 41.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 0.26 109.907 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 m -133.39 124.67 27.55 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.293 -0.632 . . . . 1.14 109.293 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 pp -118.07 156.38 28.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.972 0.415 . . . . 0.49 111.593 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 102' ' ' ALA . 31.9 t70 -94.61 112.51 58.12 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 2.08 109.461 175.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.22 -12.58 33.38 Favored 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.808 2.339 . . . . 0.53 113.925 -173.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.427 ' HB3' ' OD2' ' A' ' 100' ' ' ASP . . . -70.73 -25.44 62.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.776 0.322 . . . . 0.62 110.747 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -67.72 -31.09 70.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 2.92 110.905 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.433 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.8 mp -85.6 2.58 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 1.3 111.326 -175.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.93 -14.75 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.172 -0.467 . . . . 1.08 110.523 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -116.98 66.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.071 -0.513 . . . . 2.04 111.004 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.49 172.57 13.27 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.538 -0.839 . . . . 0.74 112.744 174.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -99.7 121.02 40.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.149 0.5 . . . . 2.02 109.891 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.433 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 51.7 m-85 -106.33 155.44 19.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.732 -0.667 . . . . 0.4 110.842 -177.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 124' ' ' GLY . 34.2 mtmt -131.92 163.05 29.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.056 -0.52 . . . . 1.53 109.899 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.596 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 50.1 p90 -117.85 144.09 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.967 -0.753 . . . . 0.23 108.967 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.89 163.15 38.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.919 0.39 . . . . 0.19 111.826 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 14.9 t -96.43 119.87 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.296 -0.865 . . . . 0.16 108.799 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -86.57 10.25 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.051 0.389 . . . . 0.24 112.051 -174.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -69.18 133.02 89.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.765 -0.828 . . . . 0.26 108.765 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.32 116.61 3.27 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.708 2.272 . . . . 0.49 112.905 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.77 -12.37 65.97 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.738 -0.665 . . . . 0.5 112.143 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -91.73 -27.32 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.86 0.318 . . . . 0.38 111.86 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.84 -41.25 58.25 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.285 -0.483 . . . . 0.61 113.245 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.53 65.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.945 0.35 . . . . 0.83 111.945 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 82.1 mt -101.32 -16.65 16.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.052 0.453 . . . . 2.13 111.292 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.526 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 9.3 mtm -130.98 81.26 1.98 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.65 111.375 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -151.31 143.37 23.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 1.13 109.478 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 110' ' ' LYS . . . -154.35 -176.07 26.25 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.058 -0.591 . . . . 0.31 111.952 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 22' ' ' ASP . 22.4 tptm -103.71 136.26 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 1.48 111.39 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 3.5 p -123.49 118.33 54.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.349 -0.611 . . . . 1.11 109.349 173.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -122.39 141.95 51.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.883 -0.599 . . . . 0.97 111.347 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.46 131.34 36.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 1.44 109.978 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.6 m -120.74 155.16 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.452 . . . . 0.6 110.818 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . 22.0 t70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.625 -0.716 . . . . 2.25 110.492 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.673 0.273 . . . . 3.08 110.44 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 t -72.52 -18.35 61.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.341 -0.39 . . . . 3.52 111.213 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.64 34.85 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.077 0.465 . . . . 2.32 110.457 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.25 29.14 0.98 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.624 -0.798 . . . . 1.56 112.665 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -101.0 133.99 44.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.839 0.352 . . . . 2.26 110.117 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.5 m -114.57 -9.47 12.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.251 -0.431 . . . . 0.62 111.603 -175.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.29 149.58 29.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.416 -0.356 . . . . 0.32 110.586 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.8 148.21 33.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.146 -0.479 . . . . 0.27 110.618 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 m -114.97 126.09 54.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.282 -0.417 . . . . 0.84 110.049 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.9 t -118.0 129.08 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.897 0.379 . . . . 0.87 110.38 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -100.91 130.87 46.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.065 -0.516 . . . . 1.98 110.619 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 8.7 p -116.76 137.03 52.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.64 -0.504 . . . . 0.97 109.64 175.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.614 HD21 ' HG2' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -122.9 170.38 10.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.555 -0.293 . . . . 1.14 110.78 -175.43 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.92 2.25 18.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.113 0.412 . . . . 2.26 112.113 -176.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -91.52 10.23 28.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 1.59 110.722 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.8 mtp 63.1 69.37 0.58 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.258 -0.883 . . . . 1.92 112.199 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.614 ' HG2' HD21 ' A' ' 13' ' ' ASN . 13.1 pt20 -160.16 157.62 28.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.919 0.39 . . . . 1.86 110.629 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.22 146.06 26.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.483 -0.78 . . . . 0.44 109.065 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -61.53 -31.18 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 2.31 110.787 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 t -126.02 150.99 47.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.732 -0.47 . . . . 1.12 109.732 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -103.0 -16.05 15.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.002 0.43 . . . . 2.18 110.601 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -135.95 142.24 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.023 -0.535 . . . . 2.06 110.095 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.87 129.05 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 0.32 110.01 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -108.35 125.04 51.26 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.081 -0.508 . . . . 1.46 110.085 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.83 120.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.86 -0.609 . . . . 0.31 110.434 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.4 m -81.34 120.4 24.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 1.16 111.138 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HA ' ' HB2' ' A' ' 101' ' ' PRO . 21.9 ptmt -67.83 -18.28 64.78 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.904 -0.589 . . . . 0.98 111.171 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.52 -8.18 38.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 0.65 111.215 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 86.2 m -97.41 140.72 31.43 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.866 -0.606 . . . . 0.49 109.968 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.48 -31.85 67.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 3.49 110.19 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.1 144.28 25.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 2.0 109.964 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -117.3 128.82 55.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.197 -0.668 . . . . 0.36 109.197 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 89.5 m -116.91 134.59 54.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.057 0.456 . . . . 0.32 110.91 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -122.88 125.28 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 0.23 109.83 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 m -106.92 122.32 46.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 0.28 110.771 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -97.32 124.11 41.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.866 -0.607 . . . . 0.2 110.017 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' CD ' ' HB3' ' A' ' 94' ' ' GLU . 57.1 tptt -116.16 110.06 18.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.638 -0.504 . . . . 2.62 109.638 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.46 ' HD2' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -92.94 99.95 12.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.29 110.321 -177.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -78.81 147.24 33.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.796 -0.638 . . . . 1.6 109.472 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 -168.49 23.16 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.785 -0.721 . . . . 1.16 111.9 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.1 m -126.71 -24.43 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.765 0.283 . . . . 1.53 111.765 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.63 137.2 92.78 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.063 0.459 . . . . 2.08 111.982 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -73.15 159.63 47.05 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 123.235 2.623 . . . . 0.49 112.254 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -63.79 -25.99 68.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.243 -0.889 . . . . 1.82 113.169 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.5 53.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.779 0.323 . . . . 0.59 111.347 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -101.62 -52.42 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 1.51 110.262 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.5 tpp -136.77 65.87 1.49 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.535 0.683 . . . . 1.13 109.23 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.18 156.08 22.64 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.122 -0.945 . . . . 0.14 111.674 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.467 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 89.2 m-70 -136.57 148.13 47.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.866 0.365 . . . . 0.15 110.702 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -140.43 167.39 22.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.892 -0.781 . . . . 1.48 108.892 168.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tt -130.22 110.33 11.48 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.833 -0.803 . . . . 0.22 108.833 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 16.3 m -109.62 142.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.84 -0.618 . . . . 1.46 110.261 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 110' ' ' LYS . 43.5 mt -119.83 122.44 68.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.949 0.404 . . . . 0.51 109.975 176.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.42 161.18 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.631 -0.713 . . . . 0.32 110.643 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -68.78 123.39 20.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.495 -0.775 . . . . 1.46 109.573 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.27 15.14 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.222 0.823 . . . . 0.77 113.222 -169.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.96 -32.37 67.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 2.89 111.958 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 5.8 m-20 -102.98 -5.57 23.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.058 0.456 . . . . 2.15 110.507 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 110' ' ' LYS . 22.0 ttt -75.0 -24.33 58.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.78 111.168 -175.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.85 -42.66 89.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 2.27 109.832 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.55 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.316 -0.856 . . . . 0.66 112.222 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 59' ' ' MET . 75.9 t -72.7 -44.89 59.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.608 0.242 . . . . 0.55 110.548 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 67' ' ' VAL . 79.4 m-85 -62.4 -49.74 74.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.53 110.478 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.18 -38.4 91.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.642 -0.708 . . . . 3.03 111.257 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' HB2' ' A' ' 76' ' ' LYS . 13.0 t70 -73.56 -39.79 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.953 0.406 . . . . 2.28 110.603 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.47 -30.98 77.46 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.71 -0.677 . . . . 0.5 113.341 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 63' ' ' PHE . 81.1 t -60.17 -33.17 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.002 0.429 . . . . 1.04 110.696 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.38 -8.29 85.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.53 112.428 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 72' ' ' THR . . . -106.71 49.8 0.79 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.962 0.411 . . . . 0.38 110.815 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.61 -31.97 71.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 0.62 111.821 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -80.21 -17.07 53.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.19 -0.459 . . . . 2.44 111.777 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 69' ' ' ALA . 22.6 p -117.38 52.63 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.89 0.376 . . . . 1.46 111.429 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 62.02 22.53 13.15 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.761 -0.654 . . . . 1.66 112.072 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 60.04 32.27 20.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.3 0.571 . . . . 0.68 111.494 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.72 144.64 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.53 -0.915 . . . . 1.38 108.53 172.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HB2' ' OD1' ' A' ' 65' ' ' ASP . 37.6 ttpt -86.33 128.86 55.66 Favored Pre-proline 0 C--N 1.317 -0.846 0 C-N-CA 120.6 -0.44 . . . . 2.55 110.135 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.53 68.89 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.807 2.338 . . . . 1.92 111.323 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -153.97 -45.59 0.09 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.151 -0.931 . . . . 3.52 109.286 -174.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 51.16 56.59 7.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.43 -0.805 . . . . 3.58 112.328 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.77 -35.94 15.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.961 -0.563 . . . . 1.02 110.328 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HD3' ' O ' ' A' ' 58' ' ' ASP . 78.9 mtt180 -102.87 -23.58 13.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.07 -0.514 . . . . 2.33 110.244 177.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.7 t -87.14 128.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.712 -0.676 . . . . 0.78 110.408 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.99 -40.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.91 110.228 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 97' ' ' LEU . . . -157.96 150.5 22.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.758 -0.656 . . . . 0.36 110.47 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -155.29 142.99 19.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 1.96 111.031 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.571 HG23 HD23 ' A' ' 97' ' ' LEU . 72.0 p -91.01 167.9 12.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.532 -0.544 . . . . 0.5 109.532 172.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -93.85 161.51 14.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.335 -0.393 . . . . 2.85 109.985 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 88' ' ' LEU . 15.9 mt -66.05 115.55 6.21 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.223 0.535 . . . . 1.24 110.74 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.46 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 20.0 pt -114.33 137.61 47.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.396 -0.82 . . . . 0.35 111.003 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.42 -173.09 48.23 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.73 -0.668 . . . . 0.79 112.122 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.57 111.52 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.102 -0.57 . . . . 0.81 112.755 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.94 -16.95 22.82 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.182 -0.532 . . . . 0.8 112.09 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 43.1 mt-10 -86.87 171.02 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 2.34 111.635 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.426 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 11.3 pt-20 -153.97 148.19 25.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.547 -0.751 . . . . 1.86 110.328 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -154.46 148.96 26.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.261 -0.644 . . . . 1.35 109.261 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -122.96 159.25 28.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.951 0.405 . . . . 1.0 111.349 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.571 HD23 HG23 ' A' ' 86' ' ' THR . 4.2 pp -130.94 162.54 29.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.766 -0.652 . . . . 0.26 109.706 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -139.78 133.2 30.08 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.234 -0.284 . . . . 1.14 110.234 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.4 ' CD2' HD12 ' A' ' 53' ' ' ILE . 4.0 pp -136.78 161.96 34.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 0.49 111.378 -176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -97.33 114.85 65.42 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 115.842 -0.617 . . . . 2.08 110.071 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.479 ' HB2' ' HA ' ' A' ' 27' ' ' LYS . 50.7 Cg_exo -53.66 -26.88 39.62 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.401 2.734 . . . . 0.53 113.324 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.43 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.62 111.255 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -77.34 -25.64 51.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.076 0.465 . . . . 2.92 110.817 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.598 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 10.9 mp -84.52 -6.67 59.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 1.3 110.777 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.49 -3.32 42.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.861 -0.609 . . . . 1.08 111.446 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -86.5 -16.59 36.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 2.04 112.156 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.63 -160.92 26.47 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 119.842 -1.171 . . . . 0.74 113.162 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -94.71 120.68 35.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.56 0.695 . . . . 2.02 110.72 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 11.6 m-85 -106.47 155.07 19.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.303 -0.862 . . . . 0.4 110.497 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.784 ' HB2' ' SD ' ' A' ' 59' ' ' MET . 40.1 mtpt -126.84 162.74 25.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.201 -0.454 . . . . 1.53 110.308 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.631 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 36.4 p90 -126.34 142.56 51.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.578 -0.897 . . . . 0.23 108.578 172.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.64 167.39 23.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.053 0.454 . . . . 0.19 111.785 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 19.9 t -99.88 119.36 38.08 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.061 -1.088 . . . . 0.16 108.061 173.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.4 p -86.62 5.81 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.159 0.429 . . . . 0.24 112.159 -172.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.18 125.83 89.02 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.04 -0.726 . . . . 0.26 109.04 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.84 115.1 2.11 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.829 2.353 . . . . 0.49 112.517 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.13 48.11 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.928 -0.653 . . . . 0.5 111.814 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.8 m170 -107.96 -30.04 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.008 0.373 . . . . 0.38 112.008 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.25 -16.66 67.25 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.24 -0.505 . . . . 0.61 114.084 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.71 -33.55 64.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.176 0.488 . . . . 0.83 111.388 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 66.4 tp -107.6 -42.0 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.979 0.419 . . . . 2.13 110.78 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 118' ' ' HIS . 10.4 mtm -82.01 74.92 8.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 0.65 111.129 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -150.96 143.45 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.714 -0.675 . . . . 1.13 110.242 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -155.66 -176.03 27.36 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.927 -0.579 . . . . 0.31 111.673 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.452 ' HD2' ' HG2' ' A' ' 110' ' ' LYS . 12.3 mmmm -105.77 140.71 38.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 1.48 111.916 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.3 t -107.96 111.74 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 1.11 108.688 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.4 m -99.28 124.72 44.59 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.162 -0.472 . . . . 0.97 110.934 -173.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 27' ' ' LYS . 1.4 tm? -85.12 108.03 17.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.189 -0.671 . . . . 1.44 109.189 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 23.0 m -108.53 173.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.266 -0.425 . . . . 0.6 110.731 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 2.25 111.147 179.839 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.661 0.267 . . . . 3.08 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 m -58.73 118.21 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 3.52 111.725 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.62 19.61 10.58 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.816 -0.629 . . . . 2.32 111.673 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.62 -43.97 0.23 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.65 -0.786 . . . . 1.56 111.979 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -95.09 112.22 23.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.633 0.254 . . . . 2.26 110.547 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 80.6 m -105.02 9.89 34.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.351 0.596 . . . . 0.62 109.564 174.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -148.76 159.92 43.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 0.32 110.366 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.9 141.38 26.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.143 -0.48 . . . . 0.27 109.958 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.2 m -111.69 119.4 38.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.991 0.424 . . . . 0.84 110.787 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.74 140.27 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.789 -0.642 . . . . 0.87 109.647 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -114.41 134.03 55.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.895 0.378 . . . . 1.98 110.783 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 p -118.96 136.68 53.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.728 -0.669 . . . . 0.97 109.507 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -116.35 172.19 7.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.591 0.234 . . . . 1.14 111.265 -175.465 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.79 -5.7 32.15 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.08 -0.509 . . . . 2.26 111.18 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.9 15.98 11.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.029 0.443 . . . . 1.59 110.866 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 87.7 mtp 58.56 61.73 2.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.173 -0.921 . . . . 1.92 112.59 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' HG2' HD21 ' A' ' 13' ' ' ASN . 19.2 pt20 -166.76 155.82 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.991 0.424 . . . . 1.86 111.233 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -91.56 153.13 19.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.935 -1.03 . . . . 0.44 108.734 172.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -77.51 -5.19 49.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.702 0.286 . . . . 2.31 111.204 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 t -151.08 149.19 29.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 1.12 110.42 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -114.91 9.38 16.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.306 -0.406 . . . . 2.18 110.582 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.72 127.58 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 2.06 111.056 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 92.9 mt -132.92 125.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.029 -0.532 . . . . 0.32 109.743 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -107.91 124.12 49.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.113 -0.494 . . . . 1.46 110.398 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -102.71 117.13 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.878 -0.601 . . . . 0.31 109.721 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -78.75 122.87 26.57 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.175 -0.466 . . . . 1.16 110.556 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -73.77 -2.05 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.98 110.792 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.43 -4.24 58.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 0.65 110.12 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 101' ' ' PRO . 63.7 m -111.34 145.61 38.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.661 -0.7 . . . . 0.49 109.405 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.58 -27.88 19.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 3.49 110.923 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.4 127.43 31.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.392 -0.367 . . . . 2.0 110.313 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 32.0 t80 -124.51 122.54 37.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.601 -0.518 . . . . 0.36 109.601 178.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 82.0 m -110.52 131.26 55.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.165 -0.47 . . . . 0.32 111.247 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.02 122.89 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.111 -0.495 . . . . 0.23 109.72 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -108.62 124.47 50.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.162 -0.472 . . . . 0.28 110.608 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.07 123.03 45.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.158 -0.474 . . . . 0.2 110.298 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -110.4 109.93 20.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.651 -0.5 . . . . 2.62 109.651 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.45 91.64 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 0.29 109.511 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 13' ' ' ASN . 20.0 p -76.09 119.95 20.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.088 -0.96 . . . . 1.6 109.413 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.01 -175.02 34.61 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.711 -0.757 . . . . 1.16 111.848 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -138.54 25.93 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 1.53 111.686 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.07 146.54 32.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 2.08 111.013 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.13 149.0 51.38 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 123.115 2.544 . . . . 0.49 112.676 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.38 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.535 -0.757 . . . . 1.82 111.839 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.51 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 0.59 111.645 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -129.22 -34.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.463 -0.335 . . . . 1.51 110.914 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 42.8 tpp -118.24 48.78 1.35 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.792 0.806 . . . . 1.13 109.744 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.15 151.84 21.3 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 110.433 -1.067 . . . . 0.14 110.433 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 87.8 m-70 -132.69 148.69 52.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.587 -0.445 . . . . 0.15 110.48 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.716 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 21.0 t30 -148.17 135.63 20.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.482 -0.781 . . . . 1.48 109.19 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 tt -107.19 112.99 26.14 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.584 -0.525 . . . . 0.22 109.584 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 11.6 p -110.44 145.5 16.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 1.46 110.301 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' O ' HG12 ' A' ' 83' ' ' VAL . 28.6 mm -112.29 119.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.51 109.669 177.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.75 169.85 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.135 -0.484 . . . . 0.32 110.231 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -69.43 145.9 52.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.704 -0.225 . . . . 1.46 110.936 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.51 -54.02 38.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.869 0.366 . . . . 0.77 111.283 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.34 -14.49 62.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 2.89 111.919 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -99.89 -8.07 24.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.294 0.569 . . . . 2.15 110.117 -174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mmt -59.07 -32.65 69.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.45 -0.795 . . . . 0.78 111.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.14 -43.11 87.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 2.27 110.774 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.08 -30.82 67.17 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.744 -0.741 . . . . 0.66 111.837 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.12 -46.31 72.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.456 0.17 . . . . 0.55 110.668 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 67' ' ' VAL . 29.6 m-85 -66.76 -44.07 82.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.726 -0.215 . . . . 0.53 111.013 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.34 -54.6 44.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.764 0.316 . . . . 3.03 111.326 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.19 -16.38 59.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.926 0.393 . . . . 2.28 110.834 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.27 -42.73 41.47 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.718 -0.673 . . . . 0.5 112.279 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 63' ' ' PHE . 58.9 t -58.53 -29.18 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 1.04 110.922 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.89 8.22 80.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.809 -0.71 . . . . 0.53 112.703 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -124.16 53.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.043 0.449 . . . . 0.38 110.718 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -37.91 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.62 . . . . 0.62 112.001 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.05 -18.02 59.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 2.44 111.404 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 75' ' ' VAL . 2.9 m -112.48 49.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.117 0.484 . . . . 1.46 110.538 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' HA ' ' HG ' ' A' ' 88' ' ' LEU . 34.4 m-20 59.52 19.97 8.43 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.506 -0.77 . . . . 1.66 112.205 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.504 ' CD2' HD11 ' A' ' 88' ' ' LEU . 62.6 m-85 59.89 39.45 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.68 111.195 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 72' ' ' THR . 28.0 m -126.87 147.31 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.384 -0.598 . . . . 1.38 109.384 172.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' ' H ' ' A' ' 78' ' ' ASP . 59.3 tttp -68.39 126.31 92.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.443 -0.344 . . . . 2.55 110.208 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.63 -11.6 14.84 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.318 2.679 . . . . 1.92 113.562 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.437 ' H ' ' HG2' ' A' ' 76' ' ' LYS . 30.0 m-20 -88.9 109.95 20.66 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.647 -0.501 . . . . 3.52 109.647 174.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -76.78 50.4 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 3.58 111.304 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -103.5 -28.93 11.47 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.152 0.501 . . . . 1.02 110.262 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -102.16 -28.21 12.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 2.33 110.606 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -102.45 120.08 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.78 110.301 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 53' ' ' ILE . 10.7 p -91.33 -26.12 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.939 0.4 . . . . 0.91 110.199 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.45 148.07 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.36 110.459 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -156.44 151.19 25.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 1.96 110.659 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.519 HG23 HD23 ' A' ' 97' ' ' LEU . 38.0 p -88.57 -177.92 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.6 . . . . 0.5 109.819 173.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -95.83 151.69 19.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.905 -0.405 . . . . 2.85 109.905 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 74' ' ' TYR . 14.3 mt -61.0 108.68 0.91 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.365 -0.379 . . . . 1.24 110.23 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.1 pt -111.45 136.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 116.06 -0.518 . . . . 0.35 111.779 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.92 -172.77 49.03 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.403 -0.817 . . . . 0.79 111.842 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.27 122.87 28.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.958 -0.639 . . . . 0.81 112.839 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.74 2.22 63.16 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.8 112.277 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -105.15 165.99 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.8 0.333 . . . . 2.34 111.324 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -143.43 154.16 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 1.86 110.593 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 t -154.42 149.6 26.98 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.378 -0.601 . . . . 1.35 109.378 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -132.13 157.88 43.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.88 0.371 . . . . 1.0 111.254 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.519 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -138.32 156.11 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.26 109.568 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 24.1 m -131.8 132.39 43.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.704 -0.48 . . . . 1.14 109.704 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.26 155.41 48.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.006 0.431 . . . . 0.49 111.468 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.59 119.2 71.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 2.08 109.171 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.627 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 53.2 Cg_exo -53.31 -32.49 61.51 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.416 2.744 . . . . 0.53 113.895 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.07 -13.4 62.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.954 0.406 . . . . 0.62 111.308 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -85.13 0.55 51.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.463 . . . . 2.92 110.423 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 109' ' ' TYR . 10.9 mp -112.72 18.93 17.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 1.3 110.274 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.74 1.98 53.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.934 -0.576 . . . . 1.08 111.423 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.474 ' HB2' ' OH ' ' A' ' 109' ' ' TYR . 4.0 m-20 -86.79 19.38 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.796 0.295 . . . . 2.04 111.796 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.38 -149.23 18.58 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.145 -1.026 . . . . 0.74 113.152 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.72 121.39 29.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.988 0.423 . . . . 2.02 110.571 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 104' ' ' LEU . 7.8 m-85 -106.52 153.36 22.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.787 -0.642 . . . . 0.4 110.669 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -130.22 156.55 44.42 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.756 -0.656 . . . . 1.53 109.489 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 47.8 p90 -116.44 135.46 53.82 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.674 -1.232 . . . . 0.23 107.674 170.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.72 160.46 43.83 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.438 -0.505 . . . . 0.19 111.48 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.716 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 17.4 t -94.44 116.23 28.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.921 -1.036 . . . . 0.16 108.666 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.0 p -84.13 9.56 12.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.031 0.382 . . . . 0.24 112.031 -173.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -68.42 131.14 91.82 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.082 -0.711 . . . . 0.26 109.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.48 114.67 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.977 2.451 . . . . 0.49 112.9 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.89 -20.83 46.21 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.5 111.824 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -83.97 -40.32 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.554 0.216 . . . . 0.38 110.956 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.87 -21.0 58.07 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-N 116.22 -0.445 . . . . 0.61 113.949 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -26.44 67.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.83 111.264 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 tp -122.29 -39.78 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 2.13 111.124 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 5.8 mtm -80.16 77.88 6.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.492 . . . . 0.65 111.342 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -152.35 145.46 24.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.516 -0.765 . . . . 1.13 109.92 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -145.51 -171.94 15.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.043 -0.598 . . . . 0.31 111.67 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -105.27 130.04 53.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.796 0.332 . . . . 1.48 111.203 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 4.7 p -121.76 116.81 50.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.814 -0.81 . . . . 1.11 108.814 173.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.3 m -121.16 138.51 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.812 -0.631 . . . . 0.97 111.667 -170.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.39 118.82 20.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.634 -0.712 . . . . 1.44 109.172 173.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 30.1 m -119.49 163.25 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.14 0.495 . . . . 0.6 111.047 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.704 -0.68 . . . . 2.25 110.117 178.627 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.652 0.263 . . . . 3.08 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.1 t -143.08 159.26 42.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.53 0.205 . . . . 3.52 110.748 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 75.0 -19.55 0.38 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.796 0.838 . . . . 2.32 112.877 175.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.74 27.25 7.62 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.433 -0.889 . . . . 1.56 112.493 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -98.53 113.65 25.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.834 0.349 . . . . 2.26 110.683 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 62.8 m -105.98 -19.38 13.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.847 -0.615 . . . . 0.62 109.856 175.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' THR . . . -151.25 143.92 24.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.605 -0.725 . . . . 0.32 110.2 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.13 149.35 42.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.175 -0.466 . . . . 0.27 110.427 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.9 m -120.74 138.36 54.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.316 -0.402 . . . . 0.84 110.297 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.67 135.78 56.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.956 -0.566 . . . . 0.87 110.142 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 34.6 tt0 -104.42 141.79 35.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.962 -0.563 . . . . 1.98 110.604 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -125.1 136.32 53.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.759 -0.655 . . . . 0.97 109.554 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -117.3 -172.78 2.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.45 -0.341 . . . . 1.14 110.786 -174.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -84.9 9.37 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.309 . . . . 2.26 111.308 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -102.9 12.48 36.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.885 0.374 . . . . 1.59 110.426 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.3 mtt 61.59 53.87 3.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.249 -0.887 . . . . 1.92 111.735 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -152.63 157.08 40.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.939 0.399 . . . . 1.86 111.098 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 122' ' ' MET . 57.6 m-85 -101.53 154.3 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.031 -1.1 . . . . 0.44 108.031 169.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.521 ' ND2' ' HB3' ' A' ' 11' ' ' GLU . 93.8 m-20 -84.07 18.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.728 -0.389 . . . . 2.31 111.483 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -166.56 141.85 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.151 -0.477 . . . . 1.12 109.886 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -110.83 8.41 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.045 0.45 . . . . 2.18 110.244 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -134.07 128.23 33.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.834 -0.621 . . . . 2.06 111.256 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 80.7 mt -131.43 126.9 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.655 -0.702 . . . . 0.32 109.201 172.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -108.11 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.034 0.445 . . . . 1.46 110.838 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.2 t -97.77 119.26 45.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.941 -0.572 . . . . 0.31 109.67 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -85.05 117.9 24.3 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.183 -0.462 . . . . 1.16 110.547 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -69.55 -17.59 63.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.98 110.834 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 1.53 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.891 -0.595 . . . . 0.65 110.882 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 71.8 m -105.71 139.02 40.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.921 -0.582 . . . . 0.49 109.571 177.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.83 -45.61 88.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.99 -0.55 . . . . 3.49 111.007 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.41 149.48 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 2.0 109.899 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 43.0 t80 -122.02 128.57 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.674 0.273 . . . . 0.36 110.52 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 90.8 m -116.11 133.04 56.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.04 0.447 . . . . 0.32 111.309 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -117.28 130.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.993 -0.549 . . . . 0.23 109.994 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.1 m -112.96 126.12 55.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 0.28 110.866 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.6 tp -103.69 123.79 47.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.463 . . . . 0.2 109.929 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -111.84 113.44 25.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.27 -0.423 . . . . 2.62 110.537 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.59 97.19 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.163 0.506 . . . . 0.29 109.793 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -80.8 -1.37 42.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.31 -0.859 . . . . 1.6 111.446 -175.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' O ' ' HA2' ' A' ' 91' ' ' GLY . . . -91.15 124.73 7.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.682 -0.77 . . . . 1.16 112.073 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 m -81.86 66.83 7.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.419 0.628 . . . . 1.53 110.763 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -135.91 140.32 33.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.528 -0.76 . . . . 2.08 109.62 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.86 150.4 88.47 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.016 2.478 . . . . 0.49 112.152 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -67.74 -18.95 65.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.82 112.108 -169.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.91 -11.82 56.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.822 0.344 . . . . 0.59 111.297 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -110.91 -49.1 3.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 1.51 110.498 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.9 tpp -137.5 62.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 1.13 109.543 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.04 153.73 22.05 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.368 -0.833 . . . . 0.14 111.184 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.446 ' HA ' ' SG ' ' A' ' 113' ' ' CYS . 90.1 m-70 -135.38 148.15 49.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.777 0.323 . . . . 0.15 110.53 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 113' ' ' CYS . 32.4 p-10 -146.22 155.6 42.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 1.48 109.529 173.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 85' ' ' HIS . 9.9 tt -116.46 111.16 19.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.681 -0.488 . . . . 0.22 109.681 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 61.3 t -110.99 135.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.56 -0.745 . . . . 1.46 110.698 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.68 122.95 71.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 116.358 -0.383 . . . . 0.51 110.871 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.504 ' HB3' ' SD ' ' A' ' 59' ' ' MET . . . -146.07 167.06 24.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.824 -0.625 . . . . 0.32 110.33 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.77 142.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.061 0.458 . . . . 1.46 110.695 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.17 -26.12 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.302 -0.863 . . . . 0.77 112.415 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.5 -17.05 49.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.855 0.317 . . . . 2.89 111.855 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.446 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 16.8 m-20 -123.96 11.5 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.797 0.295 . . . . 2.15 111.797 -177.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.504 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 13.6 tpt -66.6 -37.35 84.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.381 -0.372 . . . . 0.78 111.042 -175.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 27.8 t70 -63.2 -41.0 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 2.27 110.847 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.98 -31.01 79.52 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.66 111.786 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 58' ' ' ASP . 74.4 t -62.61 -41.89 93.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.646 0.26 . . . . 0.55 110.701 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -64.39 -35.11 79.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.53 110.608 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 73.8 mmtt -63.97 -38.2 90.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 3.03 110.48 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -75.31 -36.72 61.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 2.28 110.111 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.63 65.75 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.349 -0.841 . . . . 0.5 113.257 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.27 -17.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.259 0.552 . . . . 1.04 110.869 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.02 6.9 54.39 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.811 -0.709 . . . . 0.53 112.916 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.4 58.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.38 111.667 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -13.84 62.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 0.62 110.778 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.53 -45.74 73.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.336 -0.847 . . . . 2.44 111.79 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.1 p -102.22 -89.92 0.36 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.051 0.453 . . . . 1.46 111.491 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -143.65 35.09 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 1.66 109.193 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.485 ' CD2' HD11 ' A' ' 88' ' ' LEU . 71.9 m-85 62.23 46.53 6.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.456 -0.793 . . . . 0.68 110.134 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m -149.13 131.24 5.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 114.471 -1.24 . . . . 1.38 108.709 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -75.75 132.13 75.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 119.804 -0.759 . . . . 2.55 109.927 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.76 30.6 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.299 2.666 . . . . 1.92 114.24 -172.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -88.34 -32.1 18.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.182 -0.673 . . . . 3.52 109.182 172.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 46.29 48.74 13.24 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.682 0.614 . . . . 3.58 112.323 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.46 -61.72 1.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.394 -0.367 . . . . 1.02 110.546 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HD3' ' HB3' ' A' ' 58' ' ' ASP . 98.6 mtt180 -73.3 -22.98 60.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.353 0.597 . . . . 2.33 110.039 177.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.89 112.32 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.347 -0.842 . . . . 0.78 109.431 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.14 -39.42 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.171 -0.468 . . . . 0.91 110.584 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.37 152.94 31.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.956 -0.566 . . . . 0.36 110.501 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 10.8 p80 -163.18 138.43 6.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.492 -0.322 . . . . 1.96 110.748 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.518 HG23 HD23 ' A' ' 97' ' ' LEU . 68.6 p -85.97 159.06 19.73 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.756 -0.461 . . . . 0.5 109.756 174.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -81.73 153.3 26.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.23 -0.441 . . . . 2.85 109.842 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 74' ' ' TYR . 26.5 mt -59.66 129.74 43.4 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.073 -0.512 . . . . 1.24 110.895 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 93' ' ' GLU . 23.0 pt -127.61 137.29 58.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.911 -0.586 . . . . 0.35 111.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.9 -147.98 20.54 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.48 -0.782 . . . . 0.79 112.279 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 40' ' ' GLY . . . -67.28 123.46 20.69 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.131 -0.557 . . . . 0.81 112.914 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.88 20.88 77.47 Favored Glycine 0 CA--C 1.51 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.8 112.353 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 19.5 mm-40 -115.71 153.02 32.11 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.736 -0.468 . . . . 2.34 109.736 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.53 147.73 39.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.971 0.415 . . . . 1.86 110.253 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 p -133.85 150.74 51.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.087 -0.506 . . . . 1.35 109.853 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.4 p -141.58 146.46 36.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.855 0.359 . . . . 1.0 110.684 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.518 HD23 HG23 ' A' ' 86' ' ' THR . 4.6 pp -129.43 153.16 48.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.051 -0.522 . . . . 0.26 109.758 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.6 m -126.54 117.62 23.2 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.288 -0.634 . . . . 1.14 109.288 174.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.26 160.4 19.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.04 -0.527 . . . . 0.49 111.182 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.431 ' OD2' ' HB3' ' A' ' 102' ' ' ALA . 16.7 t70 -91.92 115.74 65.17 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.269 -0.878 . . . . 2.08 110.405 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -56.79 -24.96 58.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.977 2.451 . . . . 0.53 113.433 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' HB3' ' OD2' ' A' ' 100' ' ' ASP . . . -71.91 -24.84 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.604 0.24 . . . . 0.62 110.931 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -24.95 62.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.11 0.481 . . . . 2.92 110.156 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.518 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 54.1 mt -86.8 -0.06 55.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.492 . . . . 1.3 110.648 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.35 40.78 0.9 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.835 -0.62 . . . . 1.08 110.692 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -137.05 24.94 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 2.04 110.479 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.08 -157.36 24.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.909 -1.138 . . . . 0.74 113.591 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.07 130.18 53.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 2.02 110.01 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.518 ' CE1' ' HA ' ' A' ' 104' ' ' LEU . 36.3 m-85 -107.47 154.51 21.25 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.614 -0.721 . . . . 0.4 111.622 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -119.61 151.68 38.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.648 -0.706 . . . . 1.53 109.763 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.598 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 33.8 p90 -123.44 142.66 50.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.958 -0.756 . . . . 0.23 108.958 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.76 169.74 20.87 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.951 0.405 . . . . 0.19 111.2 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 49' ' ' HIS . 31.3 t -98.99 126.26 44.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.37 -0.974 . . . . 0.16 108.37 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 p -100.53 12.37 37.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 0.24 111.728 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.41 137.86 97.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.035 -0.728 . . . . 0.26 109.035 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.87 114.38 1.76 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.819 2.346 . . . . 0.49 113.001 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.94 -14.57 62.64 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.496 -0.775 . . . . 0.5 111.896 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -92.42 -27.54 17.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 0.38 111.366 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.66 -15.71 54.43 Favored Glycine 0 C--N 1.33 0.236 0 CA-C-N 116.116 -0.493 . . . . 0.61 113.505 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.72 -20.45 27.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.532 -0.393 . . . . 0.83 111.422 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -109.97 -52.3 2.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.954 0.353 . . . . 2.13 111.954 -172.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.55 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 5.0 mtm -85.38 92.6 8.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.792 0.33 . . . . 0.65 111.056 -175.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -140.34 145.5 37.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.955 -0.566 . . . . 1.13 110.481 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -158.87 179.95 34.14 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.397 -0.681 . . . . 0.31 111.397 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -114.98 139.29 49.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.995 0.398 . . . . 1.48 110.797 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 2.5 p -118.22 113.96 43.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.624 0.726 . . . . 1.11 109.257 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.2 m -109.02 136.29 48.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.467 -0.788 . . . . 0.97 111.244 -170.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.9 tp -82.07 125.99 31.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.291 -0.633 . . . . 1.44 109.291 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 35.4 m -123.57 176.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.507 -0.315 . . . . 0.6 110.544 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 2.25 111.365 -179.4 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_