data_6xfl_residue ############################ # Computer software used # ############################ 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 6xfl _Structure_validation_residue.Date_analyzed 2020-09-11 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 ' 85' ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.805 0.336 . . . . 64.41 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -52.09 -28.5 17.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -50.31 -27.8 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 75.03 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.98 -31.35 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.887 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.22 -61.27 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.883 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -56.49 -45.77 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.41 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.0 p -58.74 -55.48 34.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.41 111.118 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -53.01 -43.67 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.915 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -61.11 -45.38 94.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.899 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -62.36 -34.69 77.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.908 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.66 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 74.32 111.124 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.88 -38.57 67.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.923 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.0 p -63.11 -47.52 82.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 75.23 111.147 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -26.99 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.86 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -79.45 -35.65 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.72 -39.03 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.15 -38.81 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.856 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -133.6 69.61 76.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 73.3 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 73.27 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.743 2.295 . . . . 74.22 112.393 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -53.29 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.873 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -54.68 -34.24 62.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 72.42 110.945 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.4 tpt -78.84 -23.67 44.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 74.43 110.876 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -80.62 -47.9 13.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.54 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.874 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -30.06 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.33 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.21 -37.74 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 73.11 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.69 -59.1 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.83 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -51.86 -40.09 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 62.45 110.902 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -60.14 -59.94 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -52.39 -40.68 62.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.3 ttt -64.63 -58.89 5.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.921 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 t -52.45 -46.78 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 75.24 111.132 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.43 -38.89 85.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -61.73 -29.76 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 75.54 110.861 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -83.14 -34.95 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 75.1 110.977 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -75.5 -33.83 60.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 75.21 110.972 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.422 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 29.1 m -74.91 -14.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.141 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.06 -33.08 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.896 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.38 -30.82 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.907 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -48.5 -60.24 4.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 64.13 110.855 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.3 Cg_endo -69.76 154.02 68.24 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.686 2.257 . . . . 64.41 112.336 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.62 -18.45 48.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 71.54 112.506 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.8 m -82.67 50.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 75.43 110.811 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -54.95 -17.95 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 70.44 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -85.81 24.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.24 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.74 163.96 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.931 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.28 140.37 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.858 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.9 tt -59.56 -20.16 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 74.21 111.14 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.93 -37.02 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.899 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -72.96 -42.92 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 63.55 110.882 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.1 p -53.67 -55.66 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 74.51 111.067 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -46.34 74.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -53.11 47.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.896 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.1 94.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.95 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.143 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -74.33 -62.71 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -35.11 48.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 71.41 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -68.45 -33.26 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.84 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.11 -35.52 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 72.45 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -103.89 33.69 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 65.43 110.898 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.016 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 73.03 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.87 -31.79 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.904 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -49.79 -53.26 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.97 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.3 pp -90.66 -28.93 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.927 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -47.75 57.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.872 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -49.55 -50.56 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.952 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -59.55 -61.07 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.987 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.3 -56.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.23 111.119 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -42.73 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.918 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.98 -40.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 74.32 111.105 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -45.72 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 70.32 110.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 pp -77.34 -27.13 52.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.897 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.848 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -32.71 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.862 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.73 -69.21 1.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 74.44 112.489 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.83 -49.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.723 0.297 . . . . 74.21 110.853 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -174.35 164.4 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 64.14 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.8 162.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 61.23 111.063 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.2 pt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.147 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.765 0.317 . . . . 64.41 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -85.13 -30.57 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.913 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -51.71 -26.47 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 75.03 110.866 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.44 -31.5 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 74.1 110.919 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -61.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.25 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -54.76 -43.04 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.927 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 72.0 p -60.24 -55.43 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.41 111.138 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -46.63 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.23 110.868 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.27 -45.29 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.943 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.03 -34.12 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 75.51 110.923 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.41 -60.7 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 74.32 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.19 -37.99 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.2 p -63.51 -48.75 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 75.23 111.175 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -25.73 62.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 74.4 110.822 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -80.3 -36.94 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 74.34 110.892 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.22 -36.29 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.902 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.34 -39.23 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.849 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -132.14 67.17 78.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 73.3 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 104.13 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.759 2.306 . . . . 74.22 112.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -36.21 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 72.43 110.884 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -60.94 -32.52 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.917 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.0 tpt -76.64 -23.66 53.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 74.43 110.886 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.69 -48.54 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.924 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.33 127.44 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 72.53 110.909 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -36.06 78.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.956 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.72 -42.4 97.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -58.54 -58.87 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.885 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -47.62 72.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -52.49 -59.76 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 71.33 110.829 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.36 -41.53 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.919 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 73.22 110.924 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.2 ttm -65.17 -58.98 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 75.03 110.84 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 t -52.76 -46.08 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 75.24 111.139 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.875 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -61.42 -29.27 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.857 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -83.86 -35.26 24.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.942 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -75.44 -33.86 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.21 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.404 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 29.6 m -73.97 -14.83 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 75.02 111.169 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.92 -37.03 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 74.02 110.905 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.2 mt -92.29 -29.8 16.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.987 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.14 -60.04 4.53 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.615 0.722 . . . . 64.13 110.908 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 64.41 112.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 -19.45 46.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 71.54 112.54 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.9 m -84.38 49.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 75.43 110.916 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -57.09 -17.46 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 70.44 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.83 23.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.882 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.3 pp -84.67 165.13 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 75.24 110.864 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.7 m -65.25 140.45 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.834 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -32.01 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 74.21 111.129 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -52.37 -36.47 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.927 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.41 ' HB2' HD13 ' A' ' 131' ' ' LEU . 26.9 mm-40 -76.26 -38.86 55.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 63.55 110.929 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.0 p -54.65 -50.73 67.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.128 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 79.4 mt -74.06 -48.59 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.911 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.3 tt -51.77 -47.29 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.35 110.931 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.25 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.085 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.99 -36.44 39.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.32 111.079 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.55 -59.39 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.33 110.811 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -54.55 -35.15 62.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -68.7 -33.12 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.913 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.9 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 72.45 110.841 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -105.58 33.87 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 65.43 110.877 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.03 111.126 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.833 0.349 . . . . 73.03 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -48.72 -32.01 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -49.79 -52.93 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.86 -28.8 17.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.981 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.33 62.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 64.45 110.903 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -49.82 -51.19 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.922 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -59.03 -60.95 3.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.834 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.43 -56.03 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 75.23 111.118 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -45.52 -40.98 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 84.7 t -70.26 -39.45 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.32 111.087 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -44.92 87.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.947 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.93 -28.63 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.872 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.73 -33.09 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.861 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -33.07 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.862 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.28 -70.61 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 74.44 112.512 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -139.01 -49.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.706 0.288 . . . . 74.21 110.876 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -174.78 176.49 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.14 110.842 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.99 157.27 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 61.23 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.8 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.143 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.757 0.313 . . . . 64.41 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -55.05 -25.39 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.909 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -49.52 -29.37 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 75.03 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.65 -31.16 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -70.02 -61.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 74.25 110.923 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -54.03 -45.87 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.919 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.0 p -61.64 -55.85 26.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.187 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.08 -45.92 64.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 75.23 110.874 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.63 -45.63 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.878 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -61.4 -34.29 75.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 75.51 110.907 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.85 -60.77 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 74.32 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.86 -37.0 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.897 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.1 p -64.99 -47.42 77.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.23 111.082 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.3 62.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -81.42 -35.06 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.868 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -83.65 -36.83 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 73.22 110.853 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.46 -39.88 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.855 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -129.93 66.85 78.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 73.3 110.903 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 74.22 112.359 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.02 -35.97 82.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 72.43 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -58.5 -33.79 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.923 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.3 tpp -74.3 -23.63 59.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 74.43 110.851 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -86.95 -42.37 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 74.42 110.854 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 110.87 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.877 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.57 -39.2 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.908 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.11 -35.99 82.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -56.48 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.34 -39.49 57.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 62.45 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.16 -58.36 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 71.33 110.873 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -52.64 -42.86 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.925 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.54 -37.49 87.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 73.22 110.946 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.76 -59.11 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 t -53.0 -46.02 68.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.154 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.83 -39.88 83.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.867 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -60.53 -29.75 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 75.54 110.907 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -83.73 -35.51 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -74.91 -33.5 62.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.904 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.416 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 24.7 m -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.02 111.121 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.51 -37.58 22.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.962 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.9 mt -92.11 -8.1 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.926 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.474 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 2.7 tt0 -66.78 -60.38 6.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.615 0.721 . . . . 64.13 110.915 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.79 158.84 55.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.622 2.215 . . . . 64.41 112.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.45 -17.28 53.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.425 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.5 m -84.69 49.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 75.43 110.881 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -53.3 -20.55 4.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.927 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -85.26 23.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 135' ' ' GLN . 4.2 pp -84.12 165.17 18.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.932 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.7 m -66.48 140.71 58.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.903 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 tt -55.06 -33.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.124 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.42 -35.88 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.884 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.411 ' HB2' HD12 ' A' ' 131' ' ' LEU . 34.7 mm-40 -75.68 -39.66 57.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 63.55 110.869 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.0 p -55.14 -51.44 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 74.51 111.123 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.14 -49.95 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.889 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.22 -44.36 64.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.936 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.24 -56.02 10.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.093 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.23 -40.65 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.041 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.43 -64.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -53.06 -30.06 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.907 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -77.61 -31.27 52.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.887 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 40.7 tp -52.5 -35.13 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 72.45 110.937 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -96.89 -54.49 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 65.43 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.093 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.835 0.35 . . . . 73.03 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.57 -32.13 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.862 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -49.62 -53.31 24.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.74 -28.51 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.856 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.955 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -49.51 -51.22 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.879 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -59.25 -61.05 2.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 72.04 110.955 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 58.7 t -52.06 -56.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 75.23 111.136 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -45.41 -41.49 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.53 110.847 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 69.2 t -68.92 -39.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 74.32 111.128 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -45.38 92.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 70.32 110.914 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.4 pp -78.77 -27.77 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.9 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.42 -33.1 62.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.847 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -32.69 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 73.04 110.892 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.54 -72.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 74.44 112.462 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -138.14 -48.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 74.21 110.869 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -174.65 171.49 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.86 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -60.61 159.57 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 61.23 111.104 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.142 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.809 0.338 . . . . 64.41 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -52.74 -28.81 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 72.23 110.836 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -25.62 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 75.03 110.995 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.33 -31.89 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 74.1 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -60.79 2.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 74.25 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.6 -37.21 72.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.0 p -65.38 -52.81 51.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 74.41 111.122 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.32 -50.18 70.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.88 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -59.38 -46.63 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.31 110.884 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -58.66 -35.73 73.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.51 110.934 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.16 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.103 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.83 -38.27 67.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 73.41 110.958 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.2 p -63.14 -47.2 83.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.193 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -26.88 62.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.867 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -79.11 -35.33 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.835 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.57 -41.01 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.926 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.49 -39.93 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -133.51 72.73 74.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 73.3 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 73.87 1.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.752 2.301 . . . . 74.22 112.381 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -33.3 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.914 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -66.13 -35.12 79.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.42 110.961 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.4 tpt -74.57 -23.66 58.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.913 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -86.25 -45.67 11.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 74.42 110.906 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.04 116.43 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.899 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -52.28 -35.75 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.948 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.81 -36.78 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.931 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.23 -56.67 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.832 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -57.49 -39.66 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 62.45 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -60.08 -60.12 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.889 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.26 -40.87 71.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 72.44 110.889 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.03 -39.19 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.838 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -58.71 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.898 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 t -53.02 -46.39 68.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.184 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.72 -38.89 84.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 74.32 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.78 -29.99 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.923 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -82.98 -35.51 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 75.1 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -75.13 -33.7 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.869 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.401 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 29.5 m -75.35 -13.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 75.02 111.117 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.401 ' HB3' ' HD3' ' B' ' 556' ' ' ARG . 0.5 OUTLIER -86.06 -36.09 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.924 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 57.4 mt -91.82 -29.83 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 75.34 110.905 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 3.7 tt0 -48.14 -60.21 4.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 64.13 110.945 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.66 156.67 62.99 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.749 2.3 . . . . 64.41 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.68 -19.73 43.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 71.54 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.21 50.49 1.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.972 0.415 . . . . 75.43 110.901 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -56.8 -16.09 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 70.44 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -86.34 23.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 pp -86.72 163.99 17.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.936 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.59 140.95 58.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.866 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -59.44 -20.16 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 74.21 111.112 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.26 -36.25 82.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 75.12 110.948 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 63.55 110.92 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.0 p -53.65 -54.03 43.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 74.51 111.182 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.9 tp -68.73 -48.42 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.933 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.4 tt -51.42 -47.41 63.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.969 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.96 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 74.33 111.02 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.9 -40.86 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.32 111.101 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -66.92 -62.1 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 73.33 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.19 -37.27 54.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.858 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -66.87 -33.03 74.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.6 tp -63.78 -35.49 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 72.45 110.923 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -105.09 34.35 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 65.43 110.939 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.08 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 73.03 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.79 -32.27 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.54 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -49.58 -52.57 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.13 -29.15 17.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 75.31 110.878 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -50.92 -46.97 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 64.45 110.897 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -50.26 -50.66 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.933 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -59.48 -61.75 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.899 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 48.8 t -52.15 -55.45 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 75.23 111.159 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -46.26 -42.33 14.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.61 -37.63 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.128 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -45.2 88.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 70.32 110.954 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -27.21 32.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.949 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.96 -32.72 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.838 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . 0.401 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -88.37 -32.61 18.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 73.04 110.83 -179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.79 -77.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 74.44 112.518 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 -75.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 74.21 110.882 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.02 -174.81 4.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.934 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.99 158.11 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 61.23 111.118 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 16.6 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.128 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.801 0.334 . . . . 64.41 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.37 -23.05 46.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.904 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -49.6 -29.97 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.03 110.839 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -49.32 -32.06 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 74.1 110.944 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.62 -61.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 74.25 110.928 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.27 -35.79 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 72.41 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.5 p -65.51 -58.07 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 74.41 111.108 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -51.94 -47.12 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.916 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.01 -45.14 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.925 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.99 -34.45 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 75.51 110.917 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.43 -60.72 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.32 111.057 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 73.41 110.946 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.2 p -64.3 -47.71 78.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.157 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.31 61.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.825 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -81.56 -36.0 29.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.828 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -83.72 -36.85 23.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.961 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -73.96 -39.67 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.855 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -132.73 67.4 78.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.586 0.708 . . . . 73.3 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.11 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 74.22 112.339 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -57.97 -34.79 70.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.915 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.89 -33.18 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.42 110.935 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -23.69 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 74.43 110.833 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -89.58 -37.56 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 74.42 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 106.73 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.9 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -34.42 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.87 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.71 -43.66 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.11 110.843 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.46 -47.23 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.806 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.17 -35.45 77.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 62.45 110.853 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.64 -59.76 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.942 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.33 -41.81 69.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.861 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -37.73 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 73.22 110.932 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -64.62 -58.69 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.03 110.867 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.6 t -53.42 -46.0 69.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.24 111.158 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.06 -37.69 81.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.896 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -62.07 -30.11 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.876 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -83.86 -35.76 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.877 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -74.44 -33.67 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.86 -14.26 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 75.02 111.124 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.0 -34.41 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.872 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.62 -31.7 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.56 -60.3 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.669 0.747 . . . . 64.13 110.932 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.77 153.9 68.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.222 . . . . 64.41 112.359 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.57 -18.65 47.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.713 -0.756 . . . . 71.54 112.408 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 t -86.0 49.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 75.43 110.875 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -16.87 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.904 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -74.38 -1.11 19.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.855 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 135' ' ' GLN . 4.1 pp -63.52 164.83 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.866 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.79 144.09 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.846 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.8 tt -56.2 -33.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.21 111.113 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -51.12 -36.07 38.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.94 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.405 ' HB2' HD11 ' A' ' 131' ' ' LEU . 24.0 mm-40 -76.8 -37.66 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 63.55 110.907 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 21.1 p -56.83 -49.65 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.51 111.069 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 87.4 mt -74.4 -48.23 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.947 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.69 -42.61 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.33 -56.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.33 111.087 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.77 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.32 111.08 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.28 -64.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 73.33 110.914 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.02 -35.84 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 71.41 110.911 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.7 -34.29 77.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.4 tp -64.57 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 72.45 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -104.52 34.07 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 65.43 110.899 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.058 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.876 0.37 . . . . 73.03 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -48.64 -31.89 7.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.54 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -49.64 -52.84 27.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.88 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.3 pp -91.19 -29.29 17.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 75.31 110.906 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -47.33 63.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 64.45 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -49.39 -51.47 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.891 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -59.2 -61.07 2.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.928 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 49.2 t -52.02 -56.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 75.23 111.067 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -45.23 -42.56 9.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.887 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.16 -39.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.118 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -46.14 87.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 70.32 110.93 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.04 -27.06 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 74.44 110.941 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.86 -32.73 65.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.888 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -32.46 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.04 110.939 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -64.38 -71.07 0.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 74.44 112.443 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.82 -74.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 74.21 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -160.58 -173.9 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 64.14 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.97 157.49 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 61.23 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.1 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.111 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.741 0.305 . . . . 64.41 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -52.41 -27.98 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -50.06 -28.14 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 75.03 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.99 -31.53 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -69.73 -60.13 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -55.87 -46.97 78.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.92 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.8 p -59.92 -55.06 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.41 111.095 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -47.58 62.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.88 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -47.31 85.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.924 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.15 -35.43 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 75.51 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.61 -60.28 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 74.32 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.12 -37.75 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 73.41 110.894 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.6 p -63.2 -48.3 78.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.181 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -27.3 62.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.895 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -78.11 -37.78 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.872 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -82.05 -39.75 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.71 -36.79 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -135.39 71.0 67.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 73.3 110.863 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 80.37 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.746 2.297 . . . . 74.22 112.446 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -35.94 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 72.43 110.887 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -59.82 -34.26 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.954 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 tpt -74.43 -23.44 58.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 74.43 110.867 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -83.54 -48.24 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.893 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.18 118.85 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.53 110.843 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.73 -35.7 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.929 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.08 -39.44 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.856 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.12 -58.92 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.899 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -51.86 -43.61 63.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 62.45 110.898 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.44 -58.93 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.33 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -51.2 -43.05 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.948 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.917 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -64.99 -59.28 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.88 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.7 t -51.92 -47.32 64.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.11 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -37.7 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.858 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -62.01 -30.27 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.887 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -82.85 -35.13 26.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 75.1 110.902 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -33.78 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.404 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 30.5 m -75.31 -13.99 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 75.02 111.119 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.87 -36.98 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.911 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.78 -28.91 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 75.34 110.946 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.5 tp10 -48.77 -60.1 5.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 64.13 110.906 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.72 156.77 62.58 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.741 2.294 . . . . 64.41 112.352 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 -18.77 47.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 71.54 112.506 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.8 m -83.11 50.48 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 75.43 110.88 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -58.1 -15.51 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -86.62 23.96 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.24 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 pp -87.75 163.62 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 75.24 110.914 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.31 140.48 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.807 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.9 tt -59.39 -20.17 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 74.21 111.144 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.9 -36.09 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -73.88 -41.96 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 63.55 110.858 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.1 p -54.78 -54.04 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.132 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.22 -47.57 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.926 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.15 -45.46 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.991 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.68 38.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.077 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.63 -34.88 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 73.32 111.062 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -71.19 -62.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.873 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -54.12 -38.98 66.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.856 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -63.53 -33.9 76.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.856 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.34 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 72.45 110.88 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -106.13 34.27 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.864 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 73.03 111.133 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 73.03 110.846 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.91 -32.13 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -49.74 -52.69 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.2 pp -90.93 -29.18 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.26 -47.13 55.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.45 110.906 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -50.3 -50.17 51.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.933 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -60.15 -61.27 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.885 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 62.5 t -52.13 -56.18 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 75.23 111.145 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -45.88 -42.81 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.827 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.45 -38.41 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 74.32 111.186 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -45.31 95.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 70.32 110.89 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.53 -26.94 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 74.44 110.905 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.55 -33.16 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.888 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -32.37 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.903 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.17 -74.76 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 74.44 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -135.14 -50.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 74.21 110.978 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -174.65 172.87 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 64.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.82 162.27 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 61.23 111.098 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.145 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.852 0.358 . . . . 64.41 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.88 -28.97 17.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 72.23 110.933 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -50.56 -27.45 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.929 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.63 -31.68 7.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 74.1 110.877 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -68.32 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 74.25 110.908 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -57.6 -39.54 77.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 72.41 110.916 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.7 p -63.19 -53.07 58.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.41 111.232 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -47.7 74.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.939 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.91 -45.32 92.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.834 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.873 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.44 -60.78 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 74.32 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.88 -37.89 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 73.41 110.869 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.0 p -63.86 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 75.23 111.11 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -24.5 62.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.822 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -81.94 -35.34 29.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -84.94 -36.4 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.914 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.74 -40.14 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.857 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -132.56 67.55 78.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 73.3 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 73.37 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 74.22 112.352 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -35.72 46.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.911 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.52 -34.23 70.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.93 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.8 mtp -74.52 -23.44 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.928 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -87.27 -35.84 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.858 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -154.68 116.49 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.929 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -58.28 -41.82 85.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.92 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.24 -37.56 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.885 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.6 -49.76 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -53.03 -53.62 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 62.45 110.821 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.46 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.84 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.79 -42.44 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 72.44 110.957 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.889 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.9 ttt -63.84 -59.09 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.915 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 t -53.62 -46.37 70.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 75.24 111.167 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -41.2 90.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -62.1 -28.03 69.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.83 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -83.28 -32.4 26.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.799 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -79.56 -32.93 42.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 75.21 110.951 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 28.1 m -73.32 -13.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.02 111.154 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.49 -37.79 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 74.02 110.938 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.17 -29.6 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.921 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -46.79 -60.47 3.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.679 0.752 . . . . 64.13 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.79 159.37 53.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 64.41 112.346 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.14 -19.62 45.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.737 -0.744 . . . . 71.54 112.564 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.9 m -84.0 49.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 75.43 110.818 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -16.71 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.939 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -87.13 24.05 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.59 163.62 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.942 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -61.56 141.72 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.3 tt -59.06 -20.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 74.21 111.129 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -73.7 -42.69 60.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.55 110.906 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.9 p -53.7 -52.34 60.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 74.51 111.106 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.82 -50.16 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 73.04 110.939 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.28 -47.09 62.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.927 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.46 -49.95 64.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.33 111.123 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.13 -35.31 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.043 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -71.48 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.33 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.3 -37.22 69.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 71.41 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -65.73 -33.51 76.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.932 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.5 -35.5 80.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 72.45 110.922 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -104.27 33.88 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 65.43 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.03 111.089 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.808 0.337 . . . . 73.03 110.831 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -32.15 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.914 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -49.86 -52.93 28.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.78 -28.4 18.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.929 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -47.49 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 64.45 110.908 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -50.03 -52.1 36.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.952 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -58.84 -62.02 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.918 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 48.8 t -51.1 -55.95 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.23 111.115 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -44.95 -42.92 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.846 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.88 -40.67 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.32 111.099 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -44.39 91.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 70.32 110.892 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.18 -26.32 36.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.44 110.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.93 -33.28 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.851 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -31.4 19.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 73.04 110.871 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.28 -75.71 0.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 74.44 112.485 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.63 -63.65 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 74.21 110.946 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -175.07 -171.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.835 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -66.52 152.94 44.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 61.23 111.104 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.9 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.123 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.791 0.329 . . . . 64.41 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -52.99 -27.5 19.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.942 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -49.9 -28.36 6.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.03 110.93 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.14 -31.38 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -65.34 -61.51 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 74.25 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -49.85 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.961 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.0 p -54.97 -56.83 15.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.211 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -51.15 -42.94 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.953 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.02 -45.43 94.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.31 110.951 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.44 -34.97 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 75.51 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.65 -60.73 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.127 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.86 -39.73 68.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 73.41 110.966 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.3 p -61.7 -47.02 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 75.23 111.18 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -29.26 64.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.841 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.98 -36.04 59.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 74.34 110.89 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -83.87 -42.75 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.951 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.4 -39.76 85.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.813 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -136.27 74.89 54.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 73.3 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 74.15 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.659 2.239 . . . . 74.22 112.338 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -36.11 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.913 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 72.42 110.878 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.2 tpp -79.65 -23.57 42.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.878 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -48.52 12.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.889 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.24 112.33 3.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.866 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -35.28 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 74.33 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.64 -37.65 76.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.92 -58.47 8.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.856 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -52.85 -43.9 66.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 62.45 110.886 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.32 -58.46 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 71.33 110.885 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -52.06 -42.6 63.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.98 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.95 85.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.866 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.4 ttp -65.69 -59.17 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 75.03 110.924 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 t -51.89 -46.48 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 75.24 111.151 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.51 -34.89 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.859 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.94 -27.88 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.879 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -84.39 -36.34 22.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.935 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -73.59 -33.21 64.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.895 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.401 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 35.8 m -75.06 -13.47 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 75.02 111.122 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.93 -35.56 18.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 74.02 110.913 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.66 -29.83 16.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.8 tp10 -49.03 -60.61 4.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.674 0.749 . . . . 64.13 110.877 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.68 155.67 65.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.236 . . . . 64.41 112.411 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.91 -19.47 43.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 71.54 112.539 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.7 m -85.88 48.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 75.43 110.877 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -58.77 -15.6 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.954 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -73.85 -3.12 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.941 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.71 164.52 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.885 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.3 147.67 47.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.901 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 16.2 tt -57.51 -32.41 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.1 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -38.78 34.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.953 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -76.76 -35.14 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.55 110.935 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 20.5 p -59.67 -50.31 74.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 74.51 111.086 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.2 tp -73.16 -47.08 46.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.925 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.57 -51.11 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.888 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.71 -54.84 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.088 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.88 -45.16 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.084 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -61.49 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.886 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.78 -35.72 44.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.91 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -72.99 -32.06 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.875 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.38 -48.1 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 72.45 110.962 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -98.72 32.82 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 65.43 110.968 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.03 111.075 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 73.03 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -48.48 -32.19 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -49.9 -53.24 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.5 pp -90.48 -28.37 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 75.31 110.939 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.58 -47.75 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 64.45 110.85 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -49.86 -51.17 42.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.44 110.933 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -58.98 -60.89 3.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 72.04 110.859 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 56.3 t -52.36 -55.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 75.23 111.106 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -41.21 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.868 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 94.4 t -70.24 -39.17 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 74.32 111.107 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -45.53 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 70.32 110.888 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -28.33 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.934 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.84 -32.91 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.839 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -32.63 17.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.934 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.52 -78.22 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 74.44 112.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -57.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 74.21 110.939 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -174.63 -175.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 64.14 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -67.67 154.12 42.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 61.23 111.088 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.118 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.5 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.741 0.305 . . . . 64.41 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.72 -29.37 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 72.23 110.899 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -26.41 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.856 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.66 -31.69 7.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.432 . . . . 74.1 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -61.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.945 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.39 -37.15 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.5 p -64.17 -55.67 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.172 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.87 -45.19 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -61.07 -44.97 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.887 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.38 -34.76 77.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 75.51 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.83 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.32 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.59 -38.44 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.932 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.6 p -63.46 -47.14 83.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.23 111.188 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -26.22 62.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.874 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.3 -36.01 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.881 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -83.69 -37.29 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 73.22 110.932 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -36.03 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.856 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -132.05 68.06 79.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 73.3 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.687 2.258 . . . . 74.22 112.309 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.68 -35.34 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 72.43 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.17 -34.69 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -74.74 -23.48 58.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.871 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -85.86 -48.53 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.36 137.36 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.915 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -68.41 -36.13 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.878 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.45 -36.21 60.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.914 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.33 -52.7 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -55.38 21.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 62.45 110.838 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.04 -55.73 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.933 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -50.98 -46.88 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -34.24 77.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.917 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.3 ttt -66.58 -59.88 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.03 110.873 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t -52.16 -46.17 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.137 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.9 -35.22 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 74.32 110.888 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -65.29 -28.86 69.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.862 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -83.75 -35.51 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.1 110.91 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -74.51 -33.25 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.937 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.445 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 35.5 m -74.93 -15.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 75.02 111.166 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.7 -36.47 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.895 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.67 -8.04 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.473 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.4 tt0 -68.61 -60.52 4.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.611 0.72 . . . . 64.13 110.84 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.75 158.25 57.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 64.41 112.333 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -18.87 47.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 71.54 112.527 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.18 50.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 75.43 110.814 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -18.77 4.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.892 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -85.73 24.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 pp -85.71 164.15 17.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.913 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.6 m -61.8 140.19 58.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.2 tt -60.14 -20.27 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 74.21 111.108 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -68.19 -35.62 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.929 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -73.45 -40.36 64.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 63.55 110.903 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.6 p -57.7 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.51 111.177 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.42 -52.14 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 73.04 110.904 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.89 -53.88 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.35 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.058 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.92 -45.95 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 73.32 111.087 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -61.32 -63.45 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.814 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.79 -36.81 49.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -73.13 -30.8 63.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.917 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.48 -48.04 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 72.45 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -99.21 33.99 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 65.43 110.893 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.107 179.875 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 73.03 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.68 -31.66 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.54 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -49.63 -53.19 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.25 110.846 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.93 -29.76 17.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 75.31 110.955 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -50.49 -47.64 57.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.9 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -49.39 -51.1 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 74.44 110.938 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -59.36 -61.55 2.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 72.04 110.875 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.6 t -51.86 -56.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 75.23 111.201 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -43.19 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 75.53 110.891 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.09 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.079 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -45.45 93.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 70.32 110.945 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 2.1 pp -77.26 -27.83 53.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.874 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -75.92 -32.69 59.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.888 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -32.28 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.04 110.902 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.27 -75.62 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 74.44 112.487 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.12 -75.03 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 74.21 110.938 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.55 -174.81 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.906 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -59.97 158.08 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 61.23 111.081 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.1 pt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 73.03 111.104 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.841 0.353 . . . . 64.41 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.12 -29.6 24.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.938 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -51.76 -26.68 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 75.03 110.909 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.81 -31.31 6.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.95 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.32 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.868 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -54.25 -44.06 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.884 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.1 p -58.15 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.41 111.139 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -53.76 -43.38 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.858 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.87 -44.86 96.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.14 79.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 75.51 110.922 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.06 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.128 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pp -54.86 -40.6 69.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.914 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.2 p -60.76 -47.72 85.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.158 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -29.61 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.9 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -74.49 -39.62 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -80.75 -43.59 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.483 . . . . 73.22 110.863 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.77 -37.8 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 74.32 110.878 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -134.98 73.05 66.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 73.3 110.844 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.7 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.642 2.228 . . . . 74.22 112.322 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.34 -35.57 38.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.953 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -63.03 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.869 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 mmt -75.22 -23.79 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -84.09 -48.34 9.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.77 116.77 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 72.53 110.873 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.58 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 74.33 110.871 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.71 -36.22 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -58.04 -56.9 16.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -52.17 -42.42 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 62.45 110.837 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -57.9 -60.01 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.921 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -52.02 -40.38 60.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -38.86 92.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.882 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.0 ttp -65.5 -58.87 4.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.92 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t -51.89 -46.32 64.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 75.24 111.191 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -67.99 -41.41 82.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.895 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.39 -26.14 66.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.891 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -84.76 -39.77 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 75.1 110.919 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -31.28 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.901 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.413 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 27.5 m -76.4 -13.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 75.02 111.162 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.55 -32.96 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.938 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.53 -31.59 15.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.2 tt0 -48.21 -60.13 4.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 64.13 110.887 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.4 Cg_endo -69.72 154.49 67.81 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.706 2.271 . . . . 64.41 112.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.7 -18.17 49.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 71.54 112.486 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.6 m -83.17 50.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 75.43 110.862 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -56.24 -17.16 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 70.44 110.862 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -86.45 23.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.862 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 pp -86.94 163.68 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.899 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.7 m -62.48 140.68 58.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.926 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -59.26 -20.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 74.21 111.157 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -66.28 -37.22 84.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -73.0 -43.24 62.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 63.55 110.963 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 p -53.5 -55.74 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 74.51 111.164 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.32 -47.5 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.5 tt -51.91 -52.33 50.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.965 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.9 66.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.093 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.65 -40.12 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 73.32 111.113 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -65.29 -59.29 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.33 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -55.95 -35.77 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 71.41 110.838 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -68.78 -32.59 72.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.85 -35.88 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 72.45 110.987 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -102.88 32.8 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 65.43 110.957 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.138 179.887 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 73.03 110.835 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.69 -31.91 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.54 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -53.13 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.832 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.5 pp -90.98 -28.66 17.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.877 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.02 -47.3 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 64.45 110.944 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -49.92 -50.83 44.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.905 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -59.56 -61.41 2.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.913 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 59.6 t -52.08 -56.39 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 75.23 111.153 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -42.9 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.53 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 78.1 t -68.37 -39.7 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.085 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -46.01 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.916 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.17 -28.06 42.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.44 110.883 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.1 -32.91 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.858 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -32.48 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.879 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -58.85 -72.61 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.751 -0.738 . . . . 74.44 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.08 -57.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 74.21 110.963 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -171.05 179.28 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.54 155.91 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 61.23 111.078 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 73.03 111.12 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.4 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 64.41 110.948 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.87 -28.68 16.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -50.17 -28.21 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -49.17 -31.25 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 74.1 110.959 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -61.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 74.25 110.867 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.78 -45.85 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.903 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.4 p -59.17 -55.61 32.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 74.41 111.112 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -51.59 -47.47 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 75.23 110.893 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.09 -44.75 91.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 75.31 110.916 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.72 -35.05 76.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 75.51 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.93 -60.89 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.085 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 pp -54.65 -38.16 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.883 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.5 p -64.04 -46.34 84.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 111.18 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -27.09 62.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.936 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.28 -35.06 36.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 74.34 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -83.66 -41.88 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.29 -37.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -135.21 72.35 66.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 73.3 110.811 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 78.16 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 74.22 112.292 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -35.03 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 72.43 110.947 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.29 -35.68 67.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.1 ttt -74.46 -23.42 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -73.55 -42.6 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 74.42 110.775 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.76 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.53 110.927 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -30.38 22.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.926 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.8 -39.57 43.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.842 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -51.9 -41.1 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.857 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -53.87 -61.44 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.45 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -53.25 -48.85 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.33 110.813 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.38 -48.21 74.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.96 -36.4 83.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.875 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.6 ttp -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.897 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.0 t -60.22 -45.21 93.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.117 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 121' ' ' LYS . 22.2 mt-10 -64.22 -29.52 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 74.32 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -78.51 -30.26 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 75.54 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -81.6 -25.49 35.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.915 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 118' ' ' GLU . 0.7 OUTLIER -84.88 -36.52 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.953 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.4 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 27.2 m -70.37 -13.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 75.02 111.146 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.5 -39.31 20.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.93 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.8 mt -93.13 -28.32 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.934 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -46.96 -60.39 3.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.72 . . . . 64.13 110.885 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.2 Cg_endo -69.65 160.17 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.721 2.28 . . . . 64.41 112.41 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.66 -22.16 37.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 71.54 112.456 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.5 m -84.49 49.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 75.43 110.773 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -14.48 7.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 70.44 110.918 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -85.03 23.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.13 160.86 17.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.907 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.57 165.98 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.857 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.3 tt -79.19 -19.19 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.165 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -67.38 -39.44 85.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.12 110.936 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.85 -44.12 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 63.55 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.4 p -52.31 -57.59 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 74.51 111.157 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.39 -50.13 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.893 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.13 -45.02 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.829 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.36 -55.53 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 74.33 111.086 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.87 -42.41 62.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.077 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -63.47 -64.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.855 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.4 -30.89 42.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.9 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -77.22 -31.15 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.855 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.4 tp -52.57 -35.26 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.45 110.948 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -99.61 -53.9 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 65.43 110.949 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.03 111.079 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.84 0.352 . . . . 73.03 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -48.51 -32.17 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -49.85 -53.22 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.949 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.3 pp -90.65 -27.43 19.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.904 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -47.86 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 64.45 110.951 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -49.32 -52.61 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.839 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -58.86 -61.42 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 72.04 110.911 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 59.2 t -51.05 -56.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 75.23 111.125 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -42.65 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 75.53 110.901 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.99 -40.68 83.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 74.32 111.102 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.32 110.93 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 2.1 pp -79.95 -27.78 39.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 74.44 110.875 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -73.18 -33.51 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.873 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.22 -31.26 19.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.875 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.97 -73.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 74.44 112.525 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.8 -63.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 74.21 110.917 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -175.19 -172.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.862 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.15 156.7 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 61.23 111.072 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 10.0 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.03 111.131 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.762 0.315 . . . . 64.41 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -85.0 -25.88 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.91 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -50.94 -28.65 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 75.03 110.887 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -48.79 -32.17 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -61.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.909 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -57.02 -37.39 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.936 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.6 p -63.17 -56.69 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.41 111.149 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -44.55 72.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.851 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.97 -44.54 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.894 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -62.9 -34.69 77.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.903 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.98 -59.5 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.11 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.07 -38.01 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.935 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.9 p -63.84 -46.66 84.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 75.23 111.187 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -25.7 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.886 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -81.57 -35.13 30.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.956 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -84.67 -35.51 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.38 -40.15 62.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -131.25 66.26 78.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 73.3 110.899 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 76.26 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.243 . . . . 74.22 112.372 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -68.36 -34.3 75.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.43 110.975 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -54.63 -35.09 63.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.934 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.47 -23.44 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 74.43 110.909 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -46.8 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.847 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.89 144.68 37.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.899 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -83.82 -38.66 20.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 74.33 110.967 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.77 -37.63 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.925 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.14 -57.13 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 75.41 110.821 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -56.8 -50.79 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 62.45 110.9 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -52.89 -59.77 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.878 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.86 -41.94 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -39.12 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.95 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.6 tpp -63.42 -58.98 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.923 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t -53.18 -47.28 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.185 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.09 -41.03 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.87 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.855 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -83.49 -31.61 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.867 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -32.99 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.869 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.411 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 28.6 m -72.76 -13.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 75.02 111.075 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HB3' ' HD3' ' B' ' 556' ' ' ARG . 0.3 OUTLIER -83.89 -39.42 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.925 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.3 mt -91.81 -29.21 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.911 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 7.5 tt0 -46.76 -60.16 4.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 64.13 110.916 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 159.19 54.32 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.244 . . . . 64.41 112.352 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.1 -23.05 33.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 71.54 112.54 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.0 m -84.11 49.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 75.43 110.862 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -18.52 6.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.873 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -82.08 24.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.944 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 pp -85.69 163.95 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.881 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.94 145.37 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.828 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -62.06 -19.92 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 74.21 111.16 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.51 -39.94 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -71.53 -44.75 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 63.55 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.4 p -51.46 -59.68 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 74.51 111.195 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -48.7 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.938 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -61.86 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 74.35 110.924 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -51.59 -53.27 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.085 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.86 -33.64 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.118 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -74.84 -64.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.15 -34.8 46.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.92 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -67.82 -33.61 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.869 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.53 -35.29 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 72.45 110.869 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -104.38 34.47 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 65.43 110.937 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.03 111.092 179.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.803 0.335 . . . . 73.03 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -48.49 -31.93 7.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 73.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.85 -53.8 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.911 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.3 pp -91.18 -29.69 17.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -46.38 53.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 64.45 110.929 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -51.1 -50.07 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.896 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -60.77 -62.29 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.991 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.1 t -51.2 -53.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 75.23 111.147 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -46.52 25.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 75.53 110.896 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.72 -33.51 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 74.32 111.112 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.903 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -87.69 -19.12 28.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.876 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -81.42 -34.43 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.9 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . 0.433 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.04 -28.39 62.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.04 110.915 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -69.27 -76.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 74.44 112.492 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.68 -75.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 74.21 110.945 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -147.56 -174.56 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 64.14 110.89 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.94 164.67 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 61.23 111.124 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.2 pt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 73.03 111.132 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.8 0.333 . . . . 64.41 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -51.68 -29.02 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.864 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -51.21 -26.79 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 75.03 110.904 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.45 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.888 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -66.08 -61.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 74.25 110.864 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -54.85 -41.93 71.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.935 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.9 p -59.63 -54.17 49.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.146 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.23 -45.59 72.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 75.23 110.886 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.81 -45.7 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.888 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.49 -33.97 76.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 75.51 110.943 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -60.52 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.32 111.173 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pp -55.58 -40.63 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.943 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.9 p -59.96 -52.38 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.23 111.173 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -28.28 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.915 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -72.66 -47.22 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.91 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -74.96 -42.15 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.903 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -68.97 -36.45 77.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.937 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -137.89 73.73 45.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 73.3 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 107.64 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 74.22 112.336 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -73.84 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 72.43 110.924 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.92 -35.58 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.935 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.4 tpt -75.89 -23.46 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.889 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -89.42 -44.62 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -156.36 105.57 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 72.53 110.842 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -51.73 -36.19 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 74.33 110.83 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -70.26 -41.2 73.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 73.11 110.928 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.04 -42.13 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.861 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.47 -48.85 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 62.45 110.913 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -60.26 -56.01 26.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 71.33 110.867 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.88 -43.94 63.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 72.44 110.898 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 73.22 110.901 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -61.84 -59.45 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 75.03 110.923 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 t -54.68 -47.22 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.24 111.159 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.05 -35.23 80.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.872 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.93 -26.57 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 75.54 110.814 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -82.95 -30.15 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.949 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -81.52 -32.01 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.946 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.43 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 35.0 m -72.43 -14.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 75.02 111.109 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.55 -40.5 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.915 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -93.12 -29.45 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.477 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -43.89 -60.49 2.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.737 0.779 . . . . 64.13 110.963 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.74 158.34 57.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.684 2.256 . . . . 64.41 112.391 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.87 -16.55 56.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 71.54 112.501 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 m -81.79 51.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 75.43 110.842 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -21.98 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 70.44 110.837 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -86.4 24.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 74.24 110.878 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.9 pp -82.32 164.56 21.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.927 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.3 146.53 40.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.794 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.11 -34.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 74.21 111.14 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.92 -35.52 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 75.12 110.931 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -76.28 -34.73 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.55 110.951 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 18.2 p -59.53 -50.22 74.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.51 111.144 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.5 mt -74.08 -45.06 51.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.843 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.17 -45.34 87.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 74.35 110.841 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.05 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.07 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.91 -35.21 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.089 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -71.55 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -55.2 -37.08 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 71.41 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -66.24 -33.45 75.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.75 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 72.45 110.83 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -104.51 34.02 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 65.43 110.893 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.03 111.062 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.833 0.349 . . . . 73.03 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.22 -31.62 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.877 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -49.29 -53.08 23.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 75.25 110.935 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.3 pp -91.15 -29.13 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.921 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -47.6 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 64.45 110.882 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -48.92 -50.51 34.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.831 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -60.39 -60.86 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 72.04 110.973 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.3 t -52.83 -57.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 75.23 111.164 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -37.97 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.39 -42.56 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.151 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -41.25 88.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.7 pp -83.65 -27.63 28.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.96 -33.68 66.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.894 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.05 -31.99 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 73.04 110.854 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.16 -70.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 74.44 112.508 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -144.76 -49.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 74.21 110.944 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -169.78 178.55 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.14 110.9 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.36 161.69 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 61.23 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 73.03 111.193 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.771 0.319 . . . . 64.41 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.82 -27.99 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -50.78 -27.34 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 75.03 110.879 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.96 -31.49 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -67.85 -58.97 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.907 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.16 -39.52 72.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.871 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.0 p -63.12 -54.95 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.41 111.112 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -53.19 -48.77 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 75.23 110.955 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.34 -44.99 92.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.862 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -61.01 -34.25 74.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.51 110.945 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.32 111.022 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.47 -35.21 62.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.91 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.2 p -67.4 -44.92 77.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 75.23 111.183 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.3 63.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.847 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -84.12 -33.8 24.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.779 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -82.72 -37.04 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.06 -40.04 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 74.32 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -127.86 66.05 69.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 73.3 110.821 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 75.81 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.616 2.211 . . . . 74.22 112.361 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -81.12 -30.64 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -70.41 -25.86 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.899 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -23.06 59.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.876 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.19 -34.62 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 74.42 110.853 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -131.91 94.15 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.804 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -67.58 -41.46 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.928 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.66 -40.46 60.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.862 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 -40.55 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.844 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -51.84 -48.79 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.922 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.85 -57.32 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 71.33 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -52.78 -44.69 66.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.84 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.57 -36.49 84.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 73.22 110.967 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.1 ttp -63.98 -59.25 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.93 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 t -54.34 -46.85 72.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.24 111.124 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -65.06 -42.23 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.22 -28.96 69.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.54 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -81.8 -31.81 31.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.1 110.929 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -33.83 37.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.435 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 20.3 m -73.16 -14.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 75.02 111.136 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.77 -34.41 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.919 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.33 -28.12 17.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.954 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.3 tp10 -47.81 -59.79 5.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.681 0.753 . . . . 64.13 110.928 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.78 154.28 67.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 64.41 112.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.37 -15.41 57.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.469 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.6 p -83.03 49.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 75.43 110.809 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -18.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.893 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -88.42 24.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.839 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 pp -87.16 163.28 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 75.24 110.905 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.86 140.75 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.812 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 8.4 tt -58.94 -20.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 74.21 111.128 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -37.5 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.12 110.94 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -71.95 -43.71 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.55 110.818 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.3 p -53.49 -57.14 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 74.51 111.166 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.51 -49.71 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.936 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.22 -46.61 62.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.35 110.921 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.2 73.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.067 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.17 -37.66 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 73.32 111.191 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -68.67 -61.83 1.65 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.897 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.66 -39.9 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.41 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -64.14 -33.78 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.21 110.877 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.6 tp -63.92 -35.66 81.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 72.45 110.863 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -105.47 34.63 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 65.43 110.882 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.089 179.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 73.03 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -49.04 -31.74 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.896 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.62 -52.0 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.95 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.2 pp -91.94 -29.3 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.934 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.21 -45.51 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.972 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -50.73 -51.73 47.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.849 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -60.46 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 72.04 110.901 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 59.2 t -50.44 -54.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 75.23 111.112 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -45.43 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 97.0 t -67.16 -35.7 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.121 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -44.55 96.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 70.32 110.89 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.25 -25.84 29.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -74.8 -33.46 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.25 110.864 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -32.12 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.04 110.859 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -57.92 -77.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 74.44 112.507 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -132.69 -50.46 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 74.21 110.928 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -174.89 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.897 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.84 159.81 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 61.23 111.081 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.03 111.169 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.815 0.341 . . . . 64.41 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -51.76 -29.21 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.868 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -51.36 -26.4 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.03 110.898 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.47 7.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 74.1 110.928 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -66.31 -61.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 74.25 110.908 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.6 -42.22 67.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.41 110.978 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -60.74 -52.54 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.41 111.211 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -53.85 -47.12 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.969 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.18 -44.44 95.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.933 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -62.82 -34.4 77.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 75.51 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -60.97 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.109 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.62 -38.65 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 73.41 110.92 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.5 p -63.01 -48.12 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.176 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -25.9 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 74.4 110.831 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -80.02 -35.24 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.04 -37.13 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.914 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -74.68 -36.56 62.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -133.23 68.09 77.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 73.3 110.794 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 73.58 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 74.22 112.34 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.51 -34.85 51.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.43 110.93 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -53.33 -31.52 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 72.42 110.908 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.0 ttm -86.78 -23.59 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.893 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -78.73 -44.87 22.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.87 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -156.09 114.14 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.53 110.824 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -51.76 -35.3 43.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 74.33 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.15 -40.94 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 73.11 110.87 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.29 -37.26 69.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.78 -49.17 66.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.32 -49.65 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 72.44 110.948 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.922 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 75.03 110.951 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 t -55.95 -45.31 78.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.24 111.124 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -65.59 -42.77 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 74.32 110.883 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -61.37 -29.29 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.894 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -82.0 -32.9 30.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 75.1 110.899 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -78.72 -34.41 45.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.898 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.42 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 21.7 m -73.3 -16.47 17.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 75.02 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.408 ' HB3' ' HD3' ' B' ' 556' ' ' ARG . 0.3 OUTLIER -81.14 -36.38 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.921 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.9 mt -92.07 -7.86 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.973 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.467 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -65.49 -60.54 7.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 64.13 110.903 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.71 158.8 55.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 64.41 112.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.29 -19.87 44.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 71.54 112.485 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.3 m -82.9 50.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 75.43 110.858 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -51.93 -20.89 2.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 70.44 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -85.36 24.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.929 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.69 164.02 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.937 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.02 140.64 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.84 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 tt -59.59 -20.53 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.111 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -66.45 -38.08 86.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.937 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -71.04 -44.46 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 63.55 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.8 p -53.46 -58.33 7.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 74.51 111.141 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 48.4 mt -62.68 -49.36 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.896 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.42 -47.37 63.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.67 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 74.33 111.087 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.2 69.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 73.32 111.109 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -64.38 -63.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.867 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.13 -38.42 65.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -64.44 -33.74 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.82 -35.09 79.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 72.45 110.944 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -104.62 34.17 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 65.43 110.932 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.099 179.85 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 73.03 110.836 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -48.46 -32.04 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.54 110.878 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -52.45 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.9 -30.65 16.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.895 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.8 -46.25 64.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 64.45 110.936 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -49.81 -51.38 40.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.868 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -59.53 -61.74 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 57.5 t -51.39 -55.75 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 75.23 111.108 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.06 -43.3 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 85.5 t -67.91 -38.17 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.129 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -45.74 90.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.943 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -81.28 -27.03 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.66 -32.96 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.906 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . 0.408 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -88.39 -32.12 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 73.04 110.874 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.42 -76.91 0.2 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 74.44 112.496 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -65.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 74.21 110.833 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -162.2 -176.38 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 64.14 110.87 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -69.21 154.98 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 61.23 111.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.3 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.08 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 64.41 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -51.55 -29.44 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 72.23 110.909 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.33 -26.27 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 75.03 110.91 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -48.43 -32.24 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 74.1 110.922 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -68.27 -55.75 11.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -55.39 -46.33 76.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.9 p -60.34 -51.44 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 74.41 111.179 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.48 -50.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.933 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -44.44 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.61 -34.68 77.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.51 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.72 -60.82 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 74.32 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pp -54.84 -39.84 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.881 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.4 p -61.47 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.173 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -26.9 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.841 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -76.36 -42.79 43.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.849 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.0 -43.04 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -69.04 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -138.01 73.97 44.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.528 0.68 . . . . 73.3 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.03 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 74.22 112.364 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -36.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.43 110.937 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -67.87 -36.0 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.933 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 30.8 tpp -74.62 -23.71 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.939 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -86.94 -48.19 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.902 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -156.25 139.12 15.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 72.53 110.803 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -71.75 -36.56 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 74.33 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.22 -39.88 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.66 -52.63 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.845 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.31 -51.27 62.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 62.45 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -57.47 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.901 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -52.1 -42.5 63.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.917 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -38.03 89.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.869 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -64.46 -58.93 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.6 t -53.59 -46.19 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 75.24 111.151 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.52 -42.19 87.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 74.32 110.872 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -60.26 -29.27 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -82.71 -33.59 27.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.1 110.873 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.77 -33.33 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 75.21 110.928 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.427 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 19.8 m -74.72 -16.43 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 75.02 111.075 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.413 ' HB3' ' HD3' ' B' ' 556' ' ' ARG . 0.4 OUTLIER -81.21 -35.52 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.902 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.39 -7.74 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.469 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -66.01 -60.75 6.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 64.13 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.74 158.65 56.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.737 2.291 . . . . 64.41 112.332 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.21 -19.54 45.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 71.54 112.468 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.0 m -83.14 50.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 75.43 110.828 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -51.64 -20.98 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 70.44 110.898 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -85.78 24.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.75 163.88 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.952 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.27 141.0 58.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.904 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.4 tt -58.87 -20.91 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.21 111.175 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -64.54 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.948 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -72.15 -45.98 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 63.55 110.939 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.0 p -51.64 -56.34 14.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 74.51 111.131 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.42 -45.99 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 73.04 110.887 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.0 tt -51.76 -53.31 41.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 74.35 110.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.09 81.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.139 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.69 -34.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.078 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -72.48 -61.37 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -55.67 -33.95 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.882 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -68.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.834 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.42 -35.47 81.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.87 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -104.37 34.07 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 65.43 110.971 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.086 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.839 0.352 . . . . 73.03 110.911 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -44.86 -32.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -47.79 -56.4 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.966 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -92.27 -32.93 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.914 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -50.4 -46.48 56.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.45 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -49.38 -51.42 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.905 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -59.0 -60.23 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.896 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 58.2 t -51.93 -55.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.23 111.117 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -46.25 -41.45 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 89.4 t -68.89 -39.09 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.116 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -45.54 94.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 70.32 110.998 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.83 -27.69 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 74.44 110.948 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.63 -32.93 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.887 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . 0.413 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -89.84 -32.39 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.885 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.18 -74.66 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 74.44 112.497 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -136.97 -49.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 74.21 110.949 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.49 174.23 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.889 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.1 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 61.23 111.122 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 73.03 111.091 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.815 0.34 . . . . 64.41 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -53.59 -27.43 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -27.83 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.874 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.95 -31.48 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.964 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.38 -61.58 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.939 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.72 -38.11 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.5 p -62.39 -55.82 24.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.147 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -55.12 -43.13 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.912 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.43 -45.29 94.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.872 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.97 -34.64 77.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.88 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.9 -60.68 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 74.32 111.09 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.76 -38.86 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 73.41 110.891 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.4 p -62.84 -48.02 80.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 75.23 111.136 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -26.9 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.918 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -79.11 -37.65 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.894 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -81.92 -36.71 27.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.922 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.96 -39.44 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -132.13 67.63 79.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 73.3 110.878 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.41 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.736 2.291 . . . . 74.22 112.377 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.78 -36.84 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.43 110.965 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.99 -33.39 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.902 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.2 mtt -74.61 -23.61 58.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.866 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -87.25 -46.46 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 74.42 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.81 117.66 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.883 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -55.67 -36.63 67.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.03 -58.75 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -52.05 -46.86 65.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 62.45 110.907 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.56 -59.2 4.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.927 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -51.78 -43.71 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 72.44 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -38.17 90.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.9 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.22 -59.93 4.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.03 110.894 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 t -52.78 -47.09 67.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.191 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.92 -41.15 91.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.852 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.39 -24.9 67.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -84.45 -35.53 22.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.96 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -31.14 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.964 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.428 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 25.3 m -74.8 -13.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 75.02 111.122 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -35.08 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 74.02 110.929 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.31 -29.72 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.977 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.6 tt0 -47.99 -60.21 4.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.668 0.747 . . . . 64.13 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.9 Cg_endo -69.73 154.62 67.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 64.41 112.389 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.67 -15.69 56.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 71.54 112.518 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.9 m -82.23 49.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 75.43 110.844 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.89 -19.83 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.902 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -86.58 24.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 74.24 110.865 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.33 161.3 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 75.24 110.928 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -62.37 140.39 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.877 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 tt -58.23 -20.81 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 74.21 111.154 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.43 -36.21 82.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.12 110.924 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -73.45 -43.34 60.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.905 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.4 p -53.29 -55.44 24.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 74.51 111.167 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.8 tp -66.78 -48.8 67.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.929 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.88 -50.33 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.35 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.31 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.067 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.49 -42.01 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.113 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -66.43 -62.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.917 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.19 -35.13 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.864 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.5 mtt-85 -69.2 -32.96 72.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.7 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.45 110.934 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -104.78 33.73 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 65.43 110.905 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.146 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.788 0.328 . . . . 73.03 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -48.79 -31.93 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.832 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -52.89 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.923 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.5 pp -91.14 -29.1 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.932 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -46.19 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.886 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -51.2 -50.66 58.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.859 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -60.01 -62.22 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.889 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 52.9 t -51.36 -54.0 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 75.23 111.178 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -43.84 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.9 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.62 -35.67 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 74.32 111.131 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -43.99 93.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 70.32 110.874 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -85.27 -26.67 26.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.864 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -73.48 -33.46 64.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.865 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -31.74 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.883 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.91 -80.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 74.44 112.51 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -131.43 -50.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 74.21 110.921 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.83 -169.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -63.91 163.73 11.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 61.23 111.102 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.133 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.828 0.347 . . . . 64.41 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -85.19 -30.16 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.869 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -25.47 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.03 110.904 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.23 -32.32 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -67.91 -55.17 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 74.25 110.939 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -54.18 -44.37 71.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.913 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.2 p -62.77 -49.86 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 74.41 111.138 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -52.98 -49.94 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.895 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.45 -45.16 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 75.31 110.901 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.42 -34.54 76.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.884 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -60.48 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.32 111.195 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.99 -38.07 67.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.927 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.9 p -64.0 -46.87 82.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.148 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -26.13 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.848 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -80.82 -35.0 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.892 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -84.56 -36.86 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.919 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -74.45 -38.56 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -132.72 67.3 78.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 73.3 110.848 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 74.22 112.331 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.09 -40.82 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 72.43 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -56.06 -34.17 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.915 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 tpt -74.49 -23.53 58.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.949 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -87.5 -40.13 14.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -156.2 103.98 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.823 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -51.26 -39.49 56.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 74.33 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.66 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 73.11 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.79 -46.3 91.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -52.28 -47.97 65.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 62.45 110.85 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.13 -59.67 4.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.891 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -52.39 -41.6 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.947 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.83 -39.36 93.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 73.22 110.872 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.51 -58.87 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.905 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.5 t -53.56 -46.75 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 75.24 111.141 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.99 -41.89 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.909 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -62.12 -27.79 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.864 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -83.13 -31.51 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.1 110.906 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -80.8 -33.64 34.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 75.21 110.861 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.431 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 26.8 m -72.07 -14.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.02 111.178 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.81 -41.81 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.6 tp -93.14 -8.44 42.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.846 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.5 tp10 -64.78 -60.71 7.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 64.13 110.864 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.75 164.99 32.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 64.41 112.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -21.01 39.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.68 -0.772 . . . . 71.54 112.41 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 64.0 m -83.48 49.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 75.43 110.852 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -21.95 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 70.44 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.17 24.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.819 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 pp -82.14 163.75 21.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 75.24 110.9 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 141.67 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.861 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.0 tt -59.6 -20.24 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 74.21 111.119 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -65.68 -36.99 85.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -73.94 -43.18 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.935 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.4 p -53.2 -52.12 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.51 111.109 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.28 -50.01 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.04 110.935 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.65 -51.91 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.35 110.99 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.09 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 74.33 111.087 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.0 -35.0 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.089 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -71.73 -62.76 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 73.33 110.804 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.83 -36.39 62.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.899 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -65.25 -34.09 77.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.54 -36.38 84.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 72.45 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -102.42 33.29 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 65.43 110.944 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.074 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.895 0.378 . . . . 73.03 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -45.53 -30.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.853 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -48.36 -57.32 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.25 110.956 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.72 -30.09 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.864 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.38 -46.56 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 64.45 110.928 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -49.89 -51.26 41.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.875 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -59.42 -60.43 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 72.04 110.87 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 77.1 t -51.38 -53.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.14 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -41.77 29.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.53 110.871 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.33 -33.66 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.122 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -40.76 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 70.32 110.937 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.82 -26.36 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.901 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.8 -34.4 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.9 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -29.01 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -62.09 -80.08 0.12 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.747 . . . . 74.44 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.66 -76.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 74.21 110.923 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -95.43 -166.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 64.14 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -126.58 163.77 22.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 61.23 111.086 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.6 pt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.157 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.754 0.311 . . . . 64.41 110.854 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.893 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -51.57 -25.81 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 75.03 110.963 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -47.71 -32.54 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 74.1 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -59.59 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 74.25 110.867 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -55.91 -47.67 77.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.8 p -58.28 -54.65 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 74.41 111.155 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.14 63.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.88 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.12 -44.9 96.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 75.31 110.884 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.14 -34.78 77.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 75.51 110.817 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.32 111.169 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.93 -38.37 67.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.913 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.9 p -63.31 -47.32 82.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 75.23 111.182 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -26.49 62.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 74.4 110.855 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -79.89 -35.63 37.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.831 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -84.38 -36.5 22.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.901 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -74.15 -39.86 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -132.08 67.18 78.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.612 0.72 . . . . 73.3 110.874 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.74 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.697 2.265 . . . . 74.22 112.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.1 -28.18 69.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.94 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -71.28 -28.04 63.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 16.1 mtp -74.1 -23.48 59.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.911 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.36 -35.84 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.7 m -150.13 126.77 10.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.865 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -77.45 -36.96 52.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.875 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.41 -39.61 85.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 73.11 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -57.04 -48.78 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.904 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -54.71 -40.8 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 62.45 110.897 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.25 -59.91 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 71.33 110.859 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -52.58 -41.05 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.871 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.914 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -65.07 -58.56 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 75.03 110.911 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 t -53.12 -46.51 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 75.24 111.143 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.2 -39.81 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.915 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -62.71 -28.16 69.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 75.54 110.77 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -83.75 -33.83 24.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 75.1 110.914 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.95 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.413 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 32.6 m -74.17 -14.4 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 75.02 111.128 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.42 -37.46 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.942 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.37 -29.28 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.959 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.2 tp10 -47.29 -59.93 4.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 64.13 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.73 156.38 63.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 64.41 112.385 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.36 -20.15 42.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 71.54 112.475 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 65.4 m -85.51 47.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 75.43 110.82 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -15.37 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 70.44 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -73.62 -3.86 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.841 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.17 159.44 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.926 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.47 168.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.914 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 7.4 tt -79.18 -20.07 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 74.21 111.126 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -66.95 -38.88 86.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -71.13 -39.47 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 63.55 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.2 p -59.94 -58.36 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.51 111.145 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -44.66 96.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.945 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.2 tt -58.42 -51.78 68.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.35 110.947 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.27 -53.43 57.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.33 111.04 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.93 -52.13 52.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.104 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -53.22 -59.32 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 73.33 110.87 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -55.62 -36.52 67.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.41 110.869 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -66.77 -33.46 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 72.21 110.825 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.8 -36.33 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.949 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -104.59 34.75 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 65.43 110.965 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 73.03 111.082 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.765 0.317 . . . . 73.03 110.811 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -48.98 -32.05 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.889 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -49.58 -52.63 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.2 pp -91.07 -29.09 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 75.31 110.948 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -47.5 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.973 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -49.25 -52.0 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.86 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -59.28 -61.43 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.04 110.93 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 59.0 t -51.56 -56.45 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 75.23 111.164 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -44.97 -43.49 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.38 -40.26 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 74.32 111.169 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.32 110.912 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.78 -27.82 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.861 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.06 -33.34 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.895 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -31.02 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.908 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -68.43 -37.03 85.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 74.44 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.03 -75.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 74.21 110.823 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.1 -174.28 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.81 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.54 154.15 42.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 61.23 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.8 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.112 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.735 0.302 . . . . 64.41 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.12 -28.62 18.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -27.24 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 75.03 110.903 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.75 -31.51 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 74.1 110.92 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -67.87 -58.57 4.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.886 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.918 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 71.9 p -58.14 -53.58 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.086 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.35 -49.39 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 75.23 110.901 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -48.3 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.884 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.02 -35.42 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 75.51 110.923 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.83 -60.66 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.32 111.096 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.1 -37.34 69.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.9 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.2 p -63.53 -48.15 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.114 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -27.38 62.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -78.25 -36.28 47.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.897 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -83.46 -40.26 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.885 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -71.42 -37.72 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.807 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -134.29 71.0 72.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.56 0.695 . . . . 73.3 110.879 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 83.79 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 74.22 112.367 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.48 83.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.96 -32.47 70.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.937 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.8 mtt -74.71 -23.51 58.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.881 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -88.42 -45.62 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.09 117.44 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.869 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -51.75 -35.68 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.33 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.9 -41.56 78.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.11 110.864 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -52.69 -59.02 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 75.41 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.88 -48.9 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 62.45 110.937 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.96 -59.72 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 71.33 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -51.78 -42.12 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -39.41 94.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.974 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.2 ttt -64.04 -60.73 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t -50.77 -46.93 59.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.138 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -67.05 -39.37 86.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.848 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -62.06 -28.31 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.864 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -84.05 -34.32 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 75.1 110.927 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -76.72 -32.87 58.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 75.21 110.905 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.411 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 29.7 m -74.78 -14.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 75.02 111.122 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -37.64 21.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 74.02 110.909 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 53.7 mt -92.21 -29.6 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.933 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.3 tp10 -47.23 -60.3 4.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 64.13 110.879 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 158.31 57.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 64.41 112.379 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.54 -21.7 36.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 71.54 112.428 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.27 48.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 75.43 110.904 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -57.83 -16.38 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 70.44 110.857 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -74.26 -1.23 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.923 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.8 pp -63.77 163.82 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 75.24 110.952 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.69 152.36 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.869 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.4 ' O ' ' OG1' ' A' ' 136' ' ' THR . 3.1 tt -64.79 -20.11 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.107 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.932 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 63.55 110.924 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 133' ' ' ILE . 28.2 p -51.0 -52.46 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 74.51 111.116 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -38.53 63.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.04 111.006 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -46.7 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.35 110.903 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.82 -48.48 37.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.04 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.19 -38.07 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 73.32 111.078 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -72.82 -57.27 4.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.841 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -56.0 -34.45 65.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.906 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -69.98 -32.7 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.21 110.888 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.0 tp -63.21 -34.75 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 72.45 110.924 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -104.52 33.5 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.911 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.103 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 73.03 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.81 -31.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 73.54 110.864 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -47.61 -57.47 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.857 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.6 pp -92.0 -32.58 15.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 75.31 110.948 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.0 -46.16 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.928 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -50.68 -49.89 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 74.44 110.904 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -59.27 -59.56 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 72.04 110.943 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 43.3 t -53.45 -55.23 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.23 111.1 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -46.27 -42.28 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.839 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 97.6 t -71.17 -36.85 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.155 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -45.06 92.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 70.32 110.979 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -28.4 33.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.968 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.61 -32.81 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.918 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.894 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.76 -74.45 0.32 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.749 . . . . 74.44 112.472 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -136.74 -48.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.731 0.3 . . . . 74.21 110.91 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -174.71 176.83 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 64.14 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -66.2 160.33 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 61.23 111.095 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.03 111.135 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.883 0.373 . . . . 74.2 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -53.71 151.27 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.895 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 53.91 49.51 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.844 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -93.88 167.06 11.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 65.03 110.819 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.92 137.01 29.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 73.54 111.176 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.6 p -116.04 -49.36 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 65.05 110.829 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.54 166.44 2.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.948 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -129.62 -45.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 72.13 110.872 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -172.62 150.82 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 71.54 110.88 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.27 38.25 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.01 111.11 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.7 mt -106.89 77.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.121 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 t -96.2 81.43 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 61.02 110.871 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.4 t -111.36 -36.74 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.867 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m -96.99 136.69 37.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.823 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.4 tt -72.89 -34.66 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 74.14 111.073 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -52.43 -35.66 52.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.42 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.9 m -64.87 -47.56 77.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 64.41 110.925 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -52.09 -28.5 17.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -50.31 -27.8 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 75.03 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.98 -31.35 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.887 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.22 -61.27 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.883 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -56.49 -45.77 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.41 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.0 p -58.74 -55.48 34.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.41 111.118 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -53.01 -43.67 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.915 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -61.11 -45.38 94.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.899 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -62.36 -34.69 77.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.908 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.66 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 74.32 111.124 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.88 -38.57 67.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.923 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.0 p -63.11 -47.52 82.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 75.23 111.147 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -26.99 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.86 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -79.45 -35.65 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.72 -39.03 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.15 -38.81 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.856 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -133.6 69.61 76.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 73.3 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 73.27 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.743 2.295 . . . . 74.22 112.393 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -53.29 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.873 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -54.68 -34.24 62.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 72.42 110.945 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.4 tpt -78.84 -23.67 44.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 74.43 110.876 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -80.62 -47.9 13.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.54 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.874 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -30.06 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.33 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.21 -37.74 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 73.11 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.69 -59.1 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.83 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -51.86 -40.09 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 62.45 110.902 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -60.14 -59.94 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -52.39 -40.68 62.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.3 ttt -64.63 -58.89 5.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.921 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 t -52.45 -46.78 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 75.24 111.132 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.43 -38.89 85.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -61.73 -29.76 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 75.54 110.861 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -83.14 -34.95 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 75.1 110.977 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -75.5 -33.83 60.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 75.21 110.972 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.422 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 29.1 m -74.91 -14.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.141 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.06 -33.08 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.896 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.38 -30.82 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.907 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -48.5 -60.24 4.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 64.13 110.855 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.3 Cg_endo -69.76 154.02 68.24 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.686 2.257 . . . . 64.41 112.336 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.62 -18.45 48.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 71.54 112.506 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.8 m -82.67 50.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 75.43 110.811 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -54.95 -17.95 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 70.44 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -85.81 24.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.24 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.74 163.96 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.931 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.28 140.37 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.858 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.9 tt -59.56 -20.16 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 74.21 111.14 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.93 -37.02 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.899 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -72.96 -42.92 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 63.55 110.882 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.1 p -53.67 -55.66 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 74.51 111.067 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -46.34 74.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -53.11 47.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.896 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.1 94.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.95 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.143 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -74.33 -62.71 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -35.11 48.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 71.41 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -68.45 -33.26 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.84 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.11 -35.52 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 72.45 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -103.89 33.69 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 65.43 110.898 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -93.22 142.59 27.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.016 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.04 110.93 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.708 0.289 . . . . 75.43 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.37 179.45 5.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 51.45 110.891 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.04 156.61 54.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 74.23 110.832 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -48.33 0.74 Allowed 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.792 2.328 . . . . 74.43 112.359 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.4 pp -172.11 178.63 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.902 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -112.48 97.27 39.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.568 0.699 . . . . 74.52 111.153 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 150.98 69.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.728 2.286 . . . . 71.15 112.322 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.4 159.29 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.826 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -177.64 164.78 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.21 111.146 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 4.3 p -52.61 154.47 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.31 110.851 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -155.3 113.88 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 72.35 110.925 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 2.3 m 49.8 32.64 5.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.864 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 8.9 p -88.84 139.9 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 75.24 111.164 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -123.26 165.0 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.851 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -153.71 146.14 24.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 72.53 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.4 pt -121.08 123.2 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 73.01 111.115 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.9 pp -78.68 134.14 37.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.938 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -135.57 81.19 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.878 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -107.93 81.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.892 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 40.9 p -168.06 160.67 12.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.868 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 99.71 107.28 2.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.667 -0.777 . . . . 64.45 112.504 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -153.45 162.79 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 63.32 111.076 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -122.18 175.36 6.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 74.22 110.947 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 17.0 t -179.44 157.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 71.05 110.81 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 86.41 -74.42 2.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 64.24 112.481 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.69 -31.4 17.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.866 0.365 . . . . 73.03 110.86 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.87 -31.79 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.904 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -49.79 -53.26 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.97 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.3 pp -90.66 -28.93 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.927 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -47.75 57.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.872 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -49.55 -50.56 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.952 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -59.55 -61.07 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.987 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.3 -56.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.23 111.119 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -42.73 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.918 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.98 -40.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 74.32 111.105 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -45.72 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 70.32 110.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 pp -77.34 -27.13 52.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.897 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.848 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -32.71 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.862 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.73 -69.21 1.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 74.44 112.489 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.83 -49.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.723 0.297 . . . . 74.21 110.853 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -174.35 164.4 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 64.14 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.8 162.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 61.23 111.063 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.2 pt -151.95 133.88 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.147 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.93 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.4 ttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.813 0.34 . . . . 74.2 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.17 162.62 19.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.928 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -116.1 -179.51 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 71.13 110.866 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.3 t -134.89 -69.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 65.03 110.888 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.7 55.77 1.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 73.54 111.12 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -80.33 -174.55 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 65.05 110.865 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 tptm -139.27 160.99 38.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 74.45 110.889 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -133.71 -179.14 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 72.13 110.89 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.6 m -160.83 -178.21 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.829 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.12 124.55 40.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 75.01 111.088 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.1 mt -130.9 -39.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.181 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 p -52.08 160.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 61.02 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -132.18 -171.51 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.898 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 t -80.88 67.85 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.881 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.1 mm -90.81 -29.99 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.14 111.083 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -50.68 -32.75 20.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.851 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 p -52.45 -28.22 19.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -85.13 -30.57 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.913 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -51.71 -26.47 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 75.03 110.866 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.44 -31.5 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 74.1 110.919 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -61.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.25 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -54.76 -43.04 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.927 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 72.0 p -60.24 -55.43 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.41 111.138 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -46.63 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.23 110.868 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.27 -45.29 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.943 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.03 -34.12 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 75.51 110.923 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.41 -60.7 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 74.32 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.19 -37.99 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.2 p -63.51 -48.75 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 75.23 111.175 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -25.73 62.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 74.4 110.822 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -80.3 -36.94 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 74.34 110.892 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.22 -36.29 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.902 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.34 -39.23 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.849 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -132.14 67.17 78.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 73.3 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 104.13 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.759 2.306 . . . . 74.22 112.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -36.21 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 72.43 110.884 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -60.94 -32.52 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.917 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.0 tpt -76.64 -23.66 53.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 74.43 110.886 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.69 -48.54 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.924 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.33 127.44 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 72.53 110.909 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -36.06 78.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.956 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.72 -42.4 97.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -58.54 -58.87 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.885 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -47.62 72.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -52.49 -59.76 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 71.33 110.829 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.36 -41.53 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.919 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 73.22 110.924 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.2 ttm -65.17 -58.98 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 75.03 110.84 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 t -52.76 -46.08 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 75.24 111.139 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.875 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -61.42 -29.27 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.857 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -83.86 -35.26 24.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.942 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -75.44 -33.86 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.21 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.404 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 29.6 m -73.97 -14.83 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 75.02 111.169 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.92 -37.03 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 74.02 110.905 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.2 mt -92.29 -29.8 16.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.987 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.14 -60.04 4.53 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.615 0.722 . . . . 64.13 110.908 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 64.41 112.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 -19.45 46.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 71.54 112.54 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.9 m -84.38 49.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 75.43 110.916 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -57.09 -17.46 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 70.44 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.83 23.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.882 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.3 pp -84.67 165.13 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 75.24 110.864 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.7 m -65.25 140.45 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.834 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -32.01 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 74.21 111.129 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -52.37 -36.47 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.927 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.41 ' HB2' HD13 ' A' ' 131' ' ' LEU . 26.9 mm-40 -76.26 -38.86 55.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 63.55 110.929 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.0 p -54.65 -50.73 67.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.128 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 79.4 mt -74.06 -48.59 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.911 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.3 tt -51.77 -47.29 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.35 110.931 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.25 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.085 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.99 -36.44 39.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.32 111.079 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.55 -59.39 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.33 110.811 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -54.55 -35.15 62.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -68.7 -33.12 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.913 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.9 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 72.45 110.841 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -105.58 33.87 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 65.43 110.877 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -111.81 154.07 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.03 111.126 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.881 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.841 0.353 . . . . 75.43 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 85.3 mtp -132.71 -175.08 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 51.45 110.914 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.2 160.21 5.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.618 0.723 . . . . 74.23 110.864 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -48.36 0.74 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.724 2.283 . . . . 74.43 112.363 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.53 -168.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 75.22 110.926 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 2.8 p -104.72 97.59 12.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.558 0.695 . . . . 74.52 111.15 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 143.98 52.97 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.725 2.284 . . . . 71.15 112.394 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -175.12 161.52 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.875 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -177.33 179.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.135 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 1.7 m -69.74 146.97 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.798 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -134.89 -72.8 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 72.35 110.916 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 45.9 t -111.98 77.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.807 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 95.0 t -115.37 -35.95 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 75.24 111.128 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -80.16 161.66 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 63.14 110.893 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -177.17 148.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 72.53 110.898 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 2.9 pp -151.47 148.41 14.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 73.01 111.118 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.5 pp -82.17 153.67 25.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.949 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -145.32 115.51 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 73.44 110.921 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -150.53 109.68 3.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 63.43 110.885 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 5.6 p -179.31 146.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.927 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 111.55 151.23 11.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 64.45 112.473 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -169.92 164.49 9.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.807 0.337 . . . . 63.32 111.065 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -122.09 133.87 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.94 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 11.8 t -178.06 133.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 71.05 110.899 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 127.08 -86.38 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 64.24 112.45 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -89.7 -31.55 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 73.03 110.91 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -48.72 -32.01 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -49.79 -52.93 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.86 -28.8 17.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.981 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.33 62.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 64.45 110.903 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -49.82 -51.19 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.922 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -59.03 -60.95 3.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.834 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.43 -56.03 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 75.23 111.118 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -45.52 -40.98 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 84.7 t -70.26 -39.45 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.32 111.087 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -44.92 87.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.947 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.93 -28.63 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.872 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.73 -33.09 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.861 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -33.07 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.862 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.28 -70.61 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 74.44 112.512 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -139.01 -49.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.706 0.288 . . . . 74.21 110.876 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -174.78 176.49 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.14 110.842 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.99 157.27 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 61.23 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.8 pt -151.51 131.27 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 16.7 tttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 75.33 110.881 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.4 mtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 74.2 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -76.11 148.62 37.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -165.66 149.07 7.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 71.13 110.896 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 t -177.02 157.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 65.03 110.846 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.67 158.56 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 73.54 111.103 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.2 p -176.84 158.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 65.05 110.868 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -176.28 167.41 2.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.939 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -162.3 -176.16 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.869 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -142.86 -175.5 4.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 71.54 110.935 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.35 125.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 75.01 111.108 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.6 mm -126.12 103.28 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.14 111.087 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.3 p -88.83 111.65 22.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 61.02 110.888 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.72 119.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.868 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 m 54.17 57.52 5.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.848 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 tt -57.15 -40.0 70.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 74.14 111.111 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -51.78 -59.5 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.925 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t -69.1 -35.83 76.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 64.41 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -55.05 -25.39 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.909 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -49.52 -29.37 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 75.03 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.65 -31.16 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -70.02 -61.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 74.25 110.923 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -54.03 -45.87 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.919 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.0 p -61.64 -55.85 26.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.187 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.08 -45.92 64.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 75.23 110.874 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.63 -45.63 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.878 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -61.4 -34.29 75.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 75.51 110.907 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.85 -60.77 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 74.32 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.86 -37.0 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.897 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.1 p -64.99 -47.42 77.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.23 111.082 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.3 62.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -81.42 -35.06 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.868 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -83.65 -36.83 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 73.22 110.853 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.46 -39.88 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.855 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -129.93 66.85 78.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 73.3 110.903 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 74.22 112.359 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.02 -35.97 82.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 72.43 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -58.5 -33.79 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.923 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.3 tpp -74.3 -23.63 59.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 74.43 110.851 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -86.95 -42.37 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 74.42 110.854 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 110.87 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.877 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.57 -39.2 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.908 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.11 -35.99 82.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -56.48 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.34 -39.49 57.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 62.45 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.16 -58.36 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 71.33 110.873 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -52.64 -42.86 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.925 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.54 -37.49 87.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 73.22 110.946 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.76 -59.11 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 t -53.0 -46.02 68.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.154 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.83 -39.88 83.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.867 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -60.53 -29.75 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 75.54 110.907 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -83.73 -35.51 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -74.91 -33.5 62.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.904 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.416 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 24.7 m -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.02 111.121 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.51 -37.58 22.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.962 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.9 mt -92.11 -8.1 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.926 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.474 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 2.7 tt0 -66.78 -60.38 6.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.615 0.721 . . . . 64.13 110.915 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.79 158.84 55.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.622 2.215 . . . . 64.41 112.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.45 -17.28 53.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.425 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.5 m -84.69 49.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 75.43 110.881 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -53.3 -20.55 4.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.927 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -85.26 23.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 135' ' ' GLN . 4.2 pp -84.12 165.17 18.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.932 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.7 m -66.48 140.71 58.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.903 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 tt -55.06 -33.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.124 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.42 -35.88 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.884 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.411 ' HB2' HD12 ' A' ' 131' ' ' LEU . 34.7 mm-40 -75.68 -39.66 57.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 63.55 110.869 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.0 p -55.14 -51.44 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 74.51 111.123 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.14 -49.95 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.889 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.22 -44.36 64.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.936 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.24 -56.02 10.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.093 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.23 -40.65 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.041 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.43 -64.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -53.06 -30.06 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.907 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -77.61 -31.27 52.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.887 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 40.7 tp -52.5 -35.13 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 72.45 110.937 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -96.89 -54.49 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 65.43 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.02 30.89 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.093 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.898 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 24.9 m80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.872 0.368 . . . . 75.43 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 43.6 mtm -122.79 -177.06 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 51.45 110.866 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.86 160.18 2.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.568 0.699 . . . . 74.23 110.875 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -48.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 74.43 112.384 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -173.09 -169.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 75.22 110.926 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 2.8 p -104.53 97.63 12.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.697 . . . . 74.52 111.146 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.63 130.49 19.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 71.15 112.411 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -138.12 179.38 6.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.86 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -172.76 172.4 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 74.21 111.112 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.68 130.16 31.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.891 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -98.3 -73.99 0.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 72.35 110.909 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 98.7 p -134.64 36.15 3.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 74.23 110.797 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.55 138.11 20.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 75.24 111.16 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.81 176.43 11.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.892 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -163.67 128.72 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.53 110.885 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 2.9 pp -151.46 151.73 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 73.01 111.113 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.6 pp -80.09 163.36 24.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.932 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.72 82.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 73.44 110.94 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -107.31 -178.78 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 63.43 110.925 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 67.0 m -108.7 -71.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 74.23 110.886 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 76.03 163.59 14.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 64.45 112.479 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -163.23 164.3 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 63.32 111.106 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -122.01 150.51 41.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 74.22 110.856 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.27 -42.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 71.05 110.871 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 139.81 59.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.692 -0.766 . . . . 64.24 112.502 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -89.56 -32.28 17.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 73.03 110.916 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.57 -32.13 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.862 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -49.62 -53.31 24.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.74 -28.51 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.856 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.955 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -49.51 -51.22 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.879 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -59.25 -61.05 2.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 72.04 110.955 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 58.7 t -52.06 -56.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 75.23 111.136 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -45.41 -41.49 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.53 110.847 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 69.2 t -68.92 -39.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 74.32 111.128 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -45.38 92.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 70.32 110.914 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.4 pp -78.77 -27.77 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.9 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.42 -33.1 62.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.847 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -32.69 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 73.04 110.892 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.54 -72.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 74.44 112.462 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -138.14 -48.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 74.21 110.869 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -174.65 171.49 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.86 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -60.61 159.57 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 61.23 111.104 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.2 131.72 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.142 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 14.4 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.905 179.837 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.5 mtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.778 0.323 . . . . 74.2 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -72.96 148.9 43.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.896 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -147.59 114.54 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.941 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 p -118.23 140.76 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 65.03 110.86 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.68 161.35 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 73.54 111.092 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.0 t -165.66 141.51 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 65.05 110.889 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.45 -175.68 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.45 110.878 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -129.23 119.59 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.9 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -175.39 164.42 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 71.54 110.872 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.04 35.97 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 75.01 111.041 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -122.52 -35.24 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.202 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 m -99.53 63.2 1.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.124 -0.489 . . . . 61.02 110.862 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.56 126.29 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 74.11 110.865 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.39 164.83 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.883 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.6 mp -90.02 -35.64 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 74.14 111.127 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -52.22 -40.68 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.887 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.1 -34.53 43.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -52.74 -28.81 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 72.23 110.836 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -25.62 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 75.03 110.995 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.33 -31.89 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 74.1 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -60.79 2.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 74.25 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.6 -37.21 72.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.0 p -65.38 -52.81 51.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 74.41 111.122 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.32 -50.18 70.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.88 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -59.38 -46.63 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.31 110.884 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -58.66 -35.73 73.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.51 110.934 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.16 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.103 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.83 -38.27 67.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 73.41 110.958 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.2 p -63.14 -47.2 83.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.193 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -26.88 62.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.867 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -79.11 -35.33 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.835 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.57 -41.01 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.926 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.49 -39.93 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -133.51 72.73 74.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 73.3 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 73.87 1.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.752 2.301 . . . . 74.22 112.381 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -33.3 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.914 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -66.13 -35.12 79.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.42 110.961 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.4 tpt -74.57 -23.66 58.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.913 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -86.25 -45.67 11.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 74.42 110.906 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.04 116.43 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.899 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -52.28 -35.75 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.948 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.81 -36.78 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.931 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.23 -56.67 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.832 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -57.49 -39.66 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 62.45 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -60.08 -60.12 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.889 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.26 -40.87 71.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 72.44 110.889 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.03 -39.19 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.838 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -58.71 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.898 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 t -53.02 -46.39 68.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.184 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.72 -38.89 84.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 74.32 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.78 -29.99 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.923 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -82.98 -35.51 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 75.1 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -75.13 -33.7 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.869 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.401 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 29.5 m -75.35 -13.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 75.02 111.117 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.401 ' HB3' ' HD3' ' B' ' 556' ' ' ARG . 0.5 OUTLIER -86.06 -36.09 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.924 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 57.4 mt -91.82 -29.83 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 75.34 110.905 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 3.7 tt0 -48.14 -60.21 4.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 64.13 110.945 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.66 156.67 62.99 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.749 2.3 . . . . 64.41 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.68 -19.73 43.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 71.54 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.21 50.49 1.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.972 0.415 . . . . 75.43 110.901 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -56.8 -16.09 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 70.44 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -86.34 23.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 pp -86.72 163.99 17.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.936 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.59 140.95 58.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.866 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -59.44 -20.16 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 74.21 111.112 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.26 -36.25 82.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 75.12 110.948 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 63.55 110.92 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.0 p -53.65 -54.03 43.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 74.51 111.182 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.9 tp -68.73 -48.42 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.933 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.4 tt -51.42 -47.41 63.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.969 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.96 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 74.33 111.02 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.9 -40.86 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.32 111.101 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -66.92 -62.1 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 73.33 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.19 -37.27 54.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.858 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -66.87 -33.03 74.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.6 tp -63.78 -35.49 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 72.45 110.923 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -105.09 34.35 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 65.43 110.939 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.73 -56.43 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.08 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.939 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 37.5 m170 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.863 0.363 . . . . 75.43 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 27.7 mmm -148.88 160.76 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 51.45 110.877 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.33 160.21 7.3 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.572 0.701 . . . . 74.23 110.886 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -47.84 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.682 2.255 . . . . 74.43 112.358 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.3 pp -172.34 178.88 2.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -114.27 97.24 45.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 74.52 111.153 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.77 166.41 27.7 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.737 2.291 . . . . 71.15 112.335 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -152.1 149.93 29.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.857 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -172.72 167.64 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.125 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.71 155.93 16.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.793 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -159.73 113.05 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 72.35 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 3.3 t 50.47 33.06 7.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.85 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 11.6 p -88.31 -32.36 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.041 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -73.62 163.01 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 63.14 110.909 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -161.54 164.85 29.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 72.53 110.884 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.46 153.44 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 73.01 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 2.2 pp -75.28 172.24 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.942 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -141.41 111.86 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.924 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -107.59 120.81 43.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 63.43 110.932 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 5.0 m -162.85 142.41 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.856 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 175.17 147.69 6.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 64.45 112.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -165.32 166.94 18.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 63.32 111.095 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -145.79 124.85 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.4 155.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 71.05 110.855 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -90.33 -33.9 8.41 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.691 -0.766 . . . . 64.24 112.422 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -89.87 -31.48 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 73.03 110.846 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.79 -32.27 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.54 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -49.58 -52.57 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.13 -29.15 17.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 75.31 110.878 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -50.92 -46.97 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 64.45 110.897 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -50.26 -50.66 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.933 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -59.48 -61.75 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.899 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 48.8 t -52.15 -55.45 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 75.23 111.159 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -46.26 -42.33 14.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.61 -37.63 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.128 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -45.2 88.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 70.32 110.954 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -27.21 32.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.949 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.96 -32.72 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.838 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . 0.401 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -88.37 -32.61 18.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 73.04 110.83 -179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.79 -77.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 74.44 112.518 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 -75.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 74.21 110.882 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.02 -174.81 4.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.934 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.99 158.11 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 61.23 111.118 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 16.6 pt -152.25 131.64 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.128 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 75.33 110.848 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.724 0.297 . . . . 74.2 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.89 160.82 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.849 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 61.14 56.99 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.875 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 t -98.25 -63.21 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 65.03 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.64 72.2 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 73.54 111.182 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -93.74 -42.03 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 65.05 110.883 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -80.51 135.16 36.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 74.45 110.893 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -111.97 -175.21 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 72.13 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.39 159.64 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.54 110.822 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.0 85.14 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 75.01 111.072 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.0 tt -136.95 30.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.139 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -66.68 -74.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 61.02 110.885 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -133.23 -170.22 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 p -53.77 108.77 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 75.21 110.828 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.7 mt -90.26 -35.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 74.14 111.109 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -51.07 -46.18 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.914 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.5 t -76.69 -40.04 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 64.41 110.893 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.37 -23.05 46.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.904 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -49.6 -29.97 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.03 110.839 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -49.32 -32.06 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 74.1 110.944 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.62 -61.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 74.25 110.928 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.27 -35.79 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 72.41 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.5 p -65.51 -58.07 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 74.41 111.108 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -51.94 -47.12 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.916 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.01 -45.14 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.925 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.99 -34.45 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 75.51 110.917 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.43 -60.72 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.32 111.057 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 73.41 110.946 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.2 p -64.3 -47.71 78.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.157 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.31 61.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.825 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -81.56 -36.0 29.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.828 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -83.72 -36.85 23.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.961 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -73.96 -39.67 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.855 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -132.73 67.4 78.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.586 0.708 . . . . 73.3 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.11 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 74.22 112.339 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -57.97 -34.79 70.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.915 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.89 -33.18 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.42 110.935 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -23.69 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 74.43 110.833 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -89.58 -37.56 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 74.42 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 106.73 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.9 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -34.42 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.87 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.71 -43.66 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.11 110.843 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.46 -47.23 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.806 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.17 -35.45 77.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 62.45 110.853 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.64 -59.76 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.942 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.33 -41.81 69.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.861 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -37.73 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 73.22 110.932 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -64.62 -58.69 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.03 110.867 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.6 t -53.42 -46.0 69.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.24 111.158 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.06 -37.69 81.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.896 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -62.07 -30.11 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.876 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -83.86 -35.76 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.877 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -74.44 -33.67 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.86 -14.26 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 75.02 111.124 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.0 -34.41 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.872 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.62 -31.7 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.56 -60.3 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.669 0.747 . . . . 64.13 110.932 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.77 153.9 68.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.222 . . . . 64.41 112.359 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.57 -18.65 47.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.713 -0.756 . . . . 71.54 112.408 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 t -86.0 49.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 75.43 110.875 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -16.87 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.904 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -74.38 -1.11 19.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.855 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 135' ' ' GLN . 4.1 pp -63.52 164.83 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.866 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.79 144.09 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.846 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.8 tt -56.2 -33.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.21 111.113 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -51.12 -36.07 38.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.94 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.405 ' HB2' HD11 ' A' ' 131' ' ' LEU . 24.0 mm-40 -76.8 -37.66 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 63.55 110.907 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 21.1 p -56.83 -49.65 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.51 111.069 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 87.4 mt -74.4 -48.23 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.947 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.69 -42.61 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.33 -56.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.33 111.087 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.77 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.32 111.08 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.28 -64.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 73.33 110.914 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.02 -35.84 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 71.41 110.911 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.7 -34.29 77.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.4 tp -64.57 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 72.45 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -104.52 34.07 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 65.43 110.899 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -85.3 -46.35 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.058 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.04 110.879 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.817 0.341 . . . . 75.43 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 23.6 mtm -90.76 170.92 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 51.45 110.938 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -86.97 156.42 55.06 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.557 0.694 . . . . 74.23 110.905 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.689 2.259 . . . . 74.43 112.377 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.89 169.3 3.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 75.22 110.937 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -119.91 97.22 49.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.526 0.679 . . . . 74.52 111.162 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.14 29.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 71.15 112.349 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -122.25 70.67 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 74.23 110.854 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -148.19 -176.38 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.21 111.087 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.22 107.37 9.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.948 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.86 160.65 37.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.893 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 4.7 t 50.93 30.57 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.878 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 14.8 p -91.96 146.49 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 75.24 111.13 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -112.6 145.02 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 63.14 110.922 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -120.67 137.15 54.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.891 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -142.83 -177.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.01 111.132 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -53.49 172.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.946 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -76.23 81.19 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.925 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -107.6 66.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 63.43 110.921 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 15.1 p -59.85 121.39 11.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.878 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -134.1 -120.33 2.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 64.45 112.434 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -160.65 168.78 24.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 63.32 111.092 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -145.97 150.96 37.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 74.22 110.921 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 2.2 t -137.42 -41.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 71.05 110.863 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 73.69 110.13 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 64.24 112.47 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -89.73 -30.85 17.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 73.03 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -48.64 -31.89 7.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.54 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -49.64 -52.84 27.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.88 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.3 pp -91.19 -29.29 17.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 75.31 110.906 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -47.33 63.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 64.45 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -49.39 -51.47 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.891 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -59.2 -61.07 2.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.928 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 49.2 t -52.02 -56.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 75.23 111.067 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -45.23 -42.56 9.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.887 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.16 -39.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.118 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -46.14 87.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 70.32 110.93 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.04 -27.06 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 74.44 110.941 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.86 -32.73 65.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.888 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -32.46 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.04 110.939 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -64.38 -71.07 0.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 74.44 112.443 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.82 -74.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 74.21 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -160.58 -173.9 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 64.14 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.97 157.49 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 61.23 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.1 pt -152.97 135.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.111 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 23.5 pttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.875 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.0 tpp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.715 0.293 . . . . 74.2 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -77.43 153.34 33.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 71.45 110.818 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -142.86 151.91 41.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 71.13 110.862 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.1 p -166.0 165.41 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 65.03 110.845 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -141.0 147.74 39.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 73.54 111.138 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -142.67 131.17 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 65.05 110.891 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -87.86 146.07 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.889 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -165.71 158.45 15.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.896 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 m -141.96 112.57 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 71.54 110.846 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.99 107.37 19.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 75.01 111.077 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.1 mm -125.15 87.45 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.133 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 p -124.39 96.72 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.798 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.9 t -170.43 168.04 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.869 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.25 113.55 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.88 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 tp -61.32 -33.38 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 74.14 111.128 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -52.31 -59.21 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 75.42 110.918 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.4 p -74.07 -34.38 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 64.41 110.867 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -52.41 -27.98 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -50.06 -28.14 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 75.03 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.99 -31.53 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -69.73 -60.13 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -55.87 -46.97 78.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.92 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.8 p -59.92 -55.06 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.41 111.095 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -47.58 62.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.88 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -47.31 85.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.924 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.15 -35.43 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 75.51 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.61 -60.28 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 74.32 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.12 -37.75 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 73.41 110.894 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.6 p -63.2 -48.3 78.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.181 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -27.3 62.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.895 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -78.11 -37.78 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.872 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -82.05 -39.75 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.71 -36.79 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -135.39 71.0 67.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 73.3 110.863 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 80.37 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.746 2.297 . . . . 74.22 112.446 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -35.94 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 72.43 110.887 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -59.82 -34.26 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.954 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 tpt -74.43 -23.44 58.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 74.43 110.867 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -83.54 -48.24 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.893 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.18 118.85 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.53 110.843 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.73 -35.7 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.929 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.08 -39.44 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.856 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.12 -58.92 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.899 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -51.86 -43.61 63.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 62.45 110.898 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.44 -58.93 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.33 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -51.2 -43.05 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.948 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.917 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -64.99 -59.28 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.88 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.7 t -51.92 -47.32 64.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.11 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -37.7 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.858 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -62.01 -30.27 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.887 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -82.85 -35.13 26.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 75.1 110.902 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -33.78 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.404 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 30.5 m -75.31 -13.99 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 75.02 111.119 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.87 -36.98 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.911 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.78 -28.91 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 75.34 110.946 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.5 tp10 -48.77 -60.1 5.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 64.13 110.906 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.72 156.77 62.58 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.741 2.294 . . . . 64.41 112.352 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 -18.77 47.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 71.54 112.506 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.8 m -83.11 50.48 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 75.43 110.88 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -58.1 -15.51 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -86.62 23.96 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.24 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 pp -87.75 163.62 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 75.24 110.914 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.31 140.48 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.807 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.9 tt -59.39 -20.17 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 74.21 111.144 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.9 -36.09 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -73.88 -41.96 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 63.55 110.858 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.1 p -54.78 -54.04 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.132 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.22 -47.57 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.926 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.15 -45.46 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.991 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.68 38.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.077 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.63 -34.88 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 73.32 111.062 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -71.19 -62.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.873 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -54.12 -38.98 66.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.856 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -63.53 -33.9 76.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.856 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.34 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 72.45 110.88 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -106.13 34.27 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.864 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.12 126.58 49.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 73.03 111.133 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.903 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 52.1 t60 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.83 0.348 . . . . 75.43 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -157.4 169.69 24.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 51.45 110.847 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.24 160.21 13.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.66 0.743 . . . . 74.23 110.87 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.86 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.685 2.257 . . . . 74.43 112.341 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.64 179.12 8.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.918 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -122.55 97.18 44.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.561 0.696 . . . . 74.52 111.111 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 137.15 34.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 71.15 112.314 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -172.96 -175.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.865 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -160.1 165.16 32.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.21 111.147 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 65.5 p -92.43 147.72 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.856 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -127.24 -69.8 0.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 72.35 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 5.3 t -115.42 58.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.857 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.83 -51.03 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 75.24 111.147 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -107.18 177.91 4.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 63.14 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -167.62 157.73 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.53 110.851 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.71 128.22 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 73.01 111.187 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.11 162.75 24.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.872 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.07 129.15 46.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.923 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -110.89 148.5 32.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.947 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 2.6 p -113.92 107.68 16.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.861 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 103.57 -175.14 23.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 64.45 112.491 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -142.59 170.36 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.711 0.291 . . . . 63.32 111.128 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -145.39 125.76 13.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.938 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.56 171.35 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 71.05 110.878 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.68 77.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 64.24 112.453 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.92 -31.77 17.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.793 0.33 . . . . 73.03 110.846 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.91 -32.13 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -49.74 -52.69 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.2 pp -90.93 -29.18 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.26 -47.13 55.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.45 110.906 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -50.3 -50.17 51.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.933 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -60.15 -61.27 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.885 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 62.5 t -52.13 -56.18 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 75.23 111.145 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -45.88 -42.81 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.827 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.45 -38.41 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 74.32 111.186 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -45.31 95.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 70.32 110.89 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.53 -26.94 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 74.44 110.905 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.55 -33.16 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.888 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -32.37 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.903 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.17 -74.76 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 74.44 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -135.14 -50.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 74.21 110.978 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -174.65 172.87 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 64.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.82 162.27 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 61.23 111.098 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt -151.52 136.51 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.145 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 75.33 110.901 179.89 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.821 0.343 . . . . 74.2 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.58 148.39 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.45 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -75.31 110.71 9.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.13 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -73.89 -67.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 65.03 110.886 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 54.01 49.5 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 73.54 111.123 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 t -130.48 93.04 3.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 65.05 110.875 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.44 175.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.869 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -123.58 127.41 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 72.13 110.836 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -56.11 137.49 51.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 71.54 110.864 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.36 42.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 75.01 111.128 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.9 mt -105.1 89.72 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.14 111.157 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.5 p -175.47 158.94 2.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.864 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -115.78 73.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 74.11 110.878 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 m -138.33 115.57 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 75.21 110.845 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.1 mp -84.85 -44.95 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 74.14 111.1 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -57.6 -35.76 70.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.961 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.91 -37.22 59.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 64.41 110.931 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.88 -28.97 17.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 72.23 110.933 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -50.56 -27.45 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.929 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.63 -31.68 7.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 74.1 110.877 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -68.32 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 74.25 110.908 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -57.6 -39.54 77.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 72.41 110.916 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.7 p -63.19 -53.07 58.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.41 111.232 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -47.7 74.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.939 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.91 -45.32 92.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.834 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.873 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.44 -60.78 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 74.32 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.88 -37.89 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 73.41 110.869 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.0 p -63.86 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 75.23 111.11 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -24.5 62.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.822 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -81.94 -35.34 29.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -84.94 -36.4 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.914 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.74 -40.14 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.857 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -132.56 67.55 78.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 73.3 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 73.37 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 74.22 112.352 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -35.72 46.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.911 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.52 -34.23 70.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.93 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.8 mtp -74.52 -23.44 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.928 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -87.27 -35.84 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.858 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -154.68 116.49 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.929 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -58.28 -41.82 85.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.92 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.24 -37.56 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.885 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.6 -49.76 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -53.03 -53.62 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 62.45 110.821 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.46 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.84 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.79 -42.44 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 72.44 110.957 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.889 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.9 ttt -63.84 -59.09 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.915 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 t -53.62 -46.37 70.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 75.24 111.167 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -41.2 90.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -62.1 -28.03 69.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.83 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -83.28 -32.4 26.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.799 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -79.56 -32.93 42.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 75.21 110.951 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 28.1 m -73.32 -13.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.02 111.154 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.49 -37.79 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 74.02 110.938 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.17 -29.6 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.921 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -46.79 -60.47 3.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.679 0.752 . . . . 64.13 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.79 159.37 53.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 64.41 112.346 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.14 -19.62 45.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.737 -0.744 . . . . 71.54 112.564 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.9 m -84.0 49.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 75.43 110.818 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -16.71 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.939 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -87.13 24.05 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.59 163.62 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.942 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -61.56 141.72 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.3 tt -59.06 -20.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 74.21 111.129 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -73.7 -42.69 60.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.55 110.906 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.9 p -53.7 -52.34 60.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 74.51 111.106 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.82 -50.16 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 73.04 110.939 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.28 -47.09 62.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.927 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.46 -49.95 64.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.33 111.123 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.13 -35.31 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.043 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -71.48 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.33 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.3 -37.22 69.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 71.41 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -65.73 -33.51 76.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.932 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.5 -35.5 80.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 72.45 110.922 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -104.27 33.88 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 65.43 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.12 125.72 48.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.03 111.089 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.04 110.863 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 17.4 p80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.877 0.37 . . . . 75.43 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -164.04 174.08 11.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 51.45 110.888 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.61 158.48 1.52 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.599 0.714 . . . . 74.23 110.828 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -46.14 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.276 . . . . 74.43 112.387 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.96 -179.43 7.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.857 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -123.81 97.12 41.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.554 0.693 . . . . 74.52 111.139 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 144.76 55.28 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.662 2.241 . . . . 71.15 112.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -155.38 168.16 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.875 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -149.42 157.74 43.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.113 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.09 114.0 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 74.31 110.858 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.52 -166.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 72.35 110.876 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 26.8 t -67.41 85.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.23 110.837 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 94.2 t -121.63 137.79 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.145 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -112.86 173.38 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 63.14 110.887 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -159.0 147.8 18.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 72.53 110.902 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.3 pt -120.62 126.23 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 73.01 111.114 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.31 143.77 34.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.872 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -121.73 121.23 36.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.933 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -149.9 130.33 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 63.43 110.917 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.95 147.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.894 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 69.07 161.9 2.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 64.45 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -71.6 171.78 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 63.32 111.084 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -101.41 -44.41 5.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 2.9 t -137.01 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 71.05 110.82 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 98.19 -99.25 2.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 64.24 112.449 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -89.75 -32.7 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 73.03 110.831 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -32.15 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.914 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -49.86 -52.93 28.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.78 -28.4 18.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.929 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -47.49 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 64.45 110.908 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -50.03 -52.1 36.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.952 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -58.84 -62.02 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.918 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 48.8 t -51.1 -55.95 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.23 111.115 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -44.95 -42.92 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.846 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.88 -40.67 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.32 111.099 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -44.39 91.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 70.32 110.892 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.18 -26.32 36.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.44 110.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.93 -33.28 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.851 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -31.4 19.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 73.04 110.871 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.28 -75.71 0.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 74.44 112.485 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.63 -63.65 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 74.21 110.946 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -175.07 -171.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.835 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -66.52 152.94 44.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 61.23 111.104 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.9 pt -153.2 137.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.123 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.885 179.8 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.9 ppp? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 74.2 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -52.05 134.47 32.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.889 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.0 134.94 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -93.45 139.34 30.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 65.03 110.955 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.08 -174.12 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 73.54 111.044 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.4 m -126.65 -74.26 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 65.05 110.922 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -174.02 165.01 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 74.45 110.878 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -176.63 137.04 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.13 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 p -176.25 175.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.54 110.884 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -121.95 78.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 75.01 111.128 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.8 mt -120.13 -35.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.14 111.074 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -52.2 166.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 61.02 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 t -61.72 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 74.11 110.863 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -52.1 104.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.21 110.825 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.25 -34.12 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 74.14 111.104 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -55.12 -48.77 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 75.42 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -64.09 -57.4 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 64.41 110.947 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -52.99 -27.5 19.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.942 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -49.9 -28.36 6.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.03 110.93 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.14 -31.38 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -65.34 -61.51 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 74.25 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -49.85 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.961 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.0 p -54.97 -56.83 15.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.211 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -51.15 -42.94 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.953 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.02 -45.43 94.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.31 110.951 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.44 -34.97 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 75.51 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.65 -60.73 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.127 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.86 -39.73 68.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 73.41 110.966 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.3 p -61.7 -47.02 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 75.23 111.18 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -29.26 64.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.841 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.98 -36.04 59.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 74.34 110.89 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -83.87 -42.75 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.951 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.4 -39.76 85.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.813 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -136.27 74.89 54.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 73.3 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 74.15 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.659 2.239 . . . . 74.22 112.338 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -36.11 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.913 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 72.42 110.878 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.2 tpp -79.65 -23.57 42.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.878 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -48.52 12.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.889 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.24 112.33 3.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.866 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -35.28 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 74.33 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.64 -37.65 76.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.92 -58.47 8.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.856 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -52.85 -43.9 66.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 62.45 110.886 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.32 -58.46 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 71.33 110.885 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -52.06 -42.6 63.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.98 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.95 85.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.866 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.4 ttp -65.69 -59.17 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 75.03 110.924 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 t -51.89 -46.48 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 75.24 111.151 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.51 -34.89 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.859 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.94 -27.88 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.879 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -84.39 -36.34 22.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.935 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -73.59 -33.21 64.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.895 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.401 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 35.8 m -75.06 -13.47 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 75.02 111.122 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.93 -35.56 18.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 74.02 110.913 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.66 -29.83 16.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.8 tp10 -49.03 -60.61 4.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.674 0.749 . . . . 64.13 110.877 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.68 155.67 65.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.236 . . . . 64.41 112.411 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.91 -19.47 43.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 71.54 112.539 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.7 m -85.88 48.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 75.43 110.877 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -58.77 -15.6 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.954 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -73.85 -3.12 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.941 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.71 164.52 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.885 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.3 147.67 47.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.901 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 16.2 tt -57.51 -32.41 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.1 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -38.78 34.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.953 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -76.76 -35.14 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.55 110.935 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 20.5 p -59.67 -50.31 74.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 74.51 111.086 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.2 tp -73.16 -47.08 46.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.925 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.57 -51.11 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.888 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.71 -54.84 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.088 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.88 -45.16 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.084 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -61.49 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.886 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.78 -35.72 44.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.91 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -72.99 -32.06 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.875 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.38 -48.1 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 72.45 110.962 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -98.72 32.82 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 65.43 110.968 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.07 134.71 33.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.03 111.075 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.933 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.728 0.299 . . . . 75.43 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 18.7 mtt -104.85 174.82 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 51.45 110.857 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.44 160.24 70.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.578 0.704 . . . . 74.23 110.906 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.87 -48.14 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.688 2.259 . . . . 74.43 112.322 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.3 pp -172.26 178.58 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 75.22 110.959 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -111.94 97.25 37.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.576 0.703 . . . . 74.52 111.109 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 162.74 40.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 71.15 112.324 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -125.62 143.65 50.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.915 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -176.94 174.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.21 111.126 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 13.7 m -88.82 174.02 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.832 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -168.28 125.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 72.35 110.917 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 2.4 t 50.4 31.6 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.23 110.867 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 10.7 p -93.29 140.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 75.24 111.14 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -163.17 176.52 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 63.14 110.931 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -160.83 158.17 27.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.53 110.849 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 1.2 pp -158.19 161.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 73.01 111.121 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.6 pp -80.21 163.35 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.881 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -140.32 124.59 17.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.864 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -152.02 147.96 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 63.43 110.881 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 3.9 m -160.03 176.94 11.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.819 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 134.77 140.17 4.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 64.45 112.48 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -173.95 169.0 4.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.79 0.328 . . . . 63.32 111.088 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -145.49 -176.95 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.931 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 3.5 t -177.6 159.33 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 71.05 110.886 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.38 -82.2 1.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 64.24 112.501 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -89.83 -31.43 17.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 73.03 110.863 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -48.48 -32.19 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -49.9 -53.24 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.5 pp -90.48 -28.37 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 75.31 110.939 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.58 -47.75 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 64.45 110.85 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -49.86 -51.17 42.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.44 110.933 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -58.98 -60.89 3.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 72.04 110.859 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 56.3 t -52.36 -55.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 75.23 111.106 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -41.21 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.868 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 94.4 t -70.24 -39.17 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 74.32 111.107 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -45.53 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 70.32 110.888 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -28.33 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.934 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.84 -32.91 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.839 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -32.63 17.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.934 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.52 -78.22 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 74.44 112.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -57.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 74.21 110.939 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -174.63 -175.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 64.14 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -67.67 154.12 42.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 61.23 111.088 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.2 pt -151.36 131.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.118 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 75.33 110.889 179.832 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.793 0.33 . . . . 74.2 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -83.07 126.05 32.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.929 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.56 177.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.9 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p -174.61 161.75 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 65.03 110.838 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.43 156.82 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 73.54 111.159 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -174.18 178.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 65.05 110.88 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -162.79 120.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 74.45 110.862 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -171.17 108.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.929 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -125.24 100.77 6.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 71.54 110.859 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -121.23 112.02 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 75.01 111.119 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 mm -107.72 67.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.118 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 m -167.55 -178.58 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 61.02 110.86 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -58.93 120.73 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.841 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 m -79.35 61.9 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -88.29 -34.16 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 74.14 111.198 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -53.31 -35.74 60.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 75.42 110.959 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.5 m -77.38 -42.39 36.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.49 . . . . 64.41 110.816 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.72 -29.37 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 72.23 110.899 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -26.41 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.856 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.66 -31.69 7.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.432 . . . . 74.1 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -61.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.945 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.39 -37.15 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.5 p -64.17 -55.67 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.172 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.87 -45.19 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -61.07 -44.97 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.887 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.38 -34.76 77.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 75.51 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.83 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.32 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.59 -38.44 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.932 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.6 p -63.46 -47.14 83.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.23 111.188 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -26.22 62.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.874 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.3 -36.01 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.881 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -83.69 -37.29 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 73.22 110.932 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -36.03 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.856 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -132.05 68.06 79.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 73.3 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.687 2.258 . . . . 74.22 112.309 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.68 -35.34 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 72.43 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.17 -34.69 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -74.74 -23.48 58.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.871 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -85.86 -48.53 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.36 137.36 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.915 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -68.41 -36.13 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.878 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.45 -36.21 60.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.914 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.33 -52.7 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -55.38 21.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 62.45 110.838 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.04 -55.73 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.933 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -50.98 -46.88 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -34.24 77.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.917 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.3 ttt -66.58 -59.88 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.03 110.873 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t -52.16 -46.17 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.137 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.9 -35.22 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 74.32 110.888 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -65.29 -28.86 69.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.862 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -83.75 -35.51 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.1 110.91 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -74.51 -33.25 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.937 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.445 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 35.5 m -74.93 -15.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 75.02 111.166 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.7 -36.47 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.895 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.67 -8.04 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.473 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.4 tt0 -68.61 -60.52 4.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.611 0.72 . . . . 64.13 110.84 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.75 158.25 57.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 64.41 112.333 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -18.87 47.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 71.54 112.527 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.18 50.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 75.43 110.814 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -18.77 4.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.892 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -85.73 24.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 pp -85.71 164.15 17.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.913 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.6 m -61.8 140.19 58.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.2 tt -60.14 -20.27 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 74.21 111.108 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -68.19 -35.62 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.929 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -73.45 -40.36 64.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 63.55 110.903 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.6 p -57.7 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.51 111.177 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.42 -52.14 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 73.04 110.904 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.89 -53.88 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.35 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.058 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.92 -45.95 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 73.32 111.087 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -61.32 -63.45 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.814 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.79 -36.81 49.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -73.13 -30.8 63.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.917 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.48 -48.04 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 72.45 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -99.21 33.99 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 65.43 110.893 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.59 136.13 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.107 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 75.04 110.97 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 8.1 t60 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.786 0.327 . . . . 75.43 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 3.2 mtt -143.11 -179.34 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 51.45 110.869 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.01 160.13 4.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 74.23 110.913 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.23 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.262 . . . . 74.43 112.361 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.29 -168.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.91 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 2.6 p -104.66 97.78 13.3 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 74.52 111.181 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.1 66.32 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.76 2.306 . . . . 71.15 112.356 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.95 165.65 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.809 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -173.83 -179.09 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.096 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 2.6 p -98.92 142.3 30.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 74.31 110.86 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -134.02 -73.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 72.35 110.858 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 37.6 p -102.83 74.87 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.848 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 87.2 t -115.32 -36.66 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 75.24 111.146 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -58.91 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 63.14 110.92 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -165.9 169.08 15.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.76 149.46 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.01 111.14 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -67.13 -173.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.906 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -140.45 110.84 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.827 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -152.19 127.91 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 63.43 110.889 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.7 m -170.02 176.48 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.885 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -117.5 -138.52 6.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 64.45 112.474 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -135.29 172.53 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 63.32 111.127 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -145.31 142.26 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.872 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.89 145.86 23.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 71.05 110.832 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.22 -48.74 3.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 64.24 112.469 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -89.74 -31.61 17.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 73.03 110.876 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.68 -31.66 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.54 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -49.63 -53.19 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.25 110.846 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.93 -29.76 17.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 75.31 110.955 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -50.49 -47.64 57.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.9 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -49.39 -51.1 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 74.44 110.938 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -59.36 -61.55 2.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 72.04 110.875 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.6 t -51.86 -56.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 75.23 111.201 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -43.19 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 75.53 110.891 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.09 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.079 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -45.45 93.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 70.32 110.945 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 2.1 pp -77.26 -27.83 53.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.874 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -75.92 -32.69 59.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.888 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -32.28 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.04 110.902 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.27 -75.62 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 74.44 112.487 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.12 -75.03 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 74.21 110.938 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.55 -174.81 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.906 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -59.97 158.08 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 61.23 111.081 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.1 pt -153.04 137.38 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 73.03 111.104 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.925 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.9 mtt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.786 0.327 . . . . 74.2 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.21 148.67 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 71.45 110.891 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -117.09 133.67 55.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.871 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.1 m -132.08 179.63 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 65.03 110.868 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.68 -176.35 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.54 111.062 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -90.17 153.92 20.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.023 0.44 . . . . 65.05 110.841 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -149.36 146.98 27.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 74.45 110.915 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -59.86 -173.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 72.13 110.861 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -154.09 146.21 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.862 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.61 69.96 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.01 111.13 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.4 tt -115.52 116.72 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 74.14 111.058 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.5 t -114.3 36.28 3.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 61.02 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.1 p -87.27 -174.33 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 74.11 110.859 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 m -89.0 73.91 8.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.887 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 tt -51.84 -33.43 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.093 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -52.14 -34.52 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.868 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.9 t -51.11 -41.41 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 64.41 110.949 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.12 -29.6 24.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.938 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -51.76 -26.68 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 75.03 110.909 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.81 -31.31 6.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.95 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.32 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.868 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -54.25 -44.06 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.884 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.1 p -58.15 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.41 111.139 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -53.76 -43.38 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.858 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.87 -44.86 96.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.14 79.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 75.51 110.922 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.06 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.128 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pp -54.86 -40.6 69.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.914 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.2 p -60.76 -47.72 85.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.158 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -29.61 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.9 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -74.49 -39.62 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -80.75 -43.59 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.483 . . . . 73.22 110.863 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.77 -37.8 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 74.32 110.878 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -134.98 73.05 66.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 73.3 110.844 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.7 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.642 2.228 . . . . 74.22 112.322 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.34 -35.57 38.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.953 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -63.03 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.869 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 mmt -75.22 -23.79 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -84.09 -48.34 9.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.77 116.77 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 72.53 110.873 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.58 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 74.33 110.871 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.71 -36.22 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -58.04 -56.9 16.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -52.17 -42.42 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 62.45 110.837 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -57.9 -60.01 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.921 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -52.02 -40.38 60.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -38.86 92.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.882 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.0 ttp -65.5 -58.87 4.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.92 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t -51.89 -46.32 64.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 75.24 111.191 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -67.99 -41.41 82.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.895 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.39 -26.14 66.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.891 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -84.76 -39.77 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 75.1 110.919 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -31.28 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.901 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.413 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 27.5 m -76.4 -13.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 75.02 111.162 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.55 -32.96 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.938 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.53 -31.59 15.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.2 tt0 -48.21 -60.13 4.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 64.13 110.887 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.4 Cg_endo -69.72 154.49 67.81 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.706 2.271 . . . . 64.41 112.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.7 -18.17 49.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 71.54 112.486 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.6 m -83.17 50.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 75.43 110.862 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -56.24 -17.16 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 70.44 110.862 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -86.45 23.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.862 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 pp -86.94 163.68 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.899 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.7 m -62.48 140.68 58.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.926 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -59.26 -20.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 74.21 111.157 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -66.28 -37.22 84.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -73.0 -43.24 62.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 63.55 110.963 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 p -53.5 -55.74 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 74.51 111.164 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.32 -47.5 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.5 tt -51.91 -52.33 50.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.965 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.9 66.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.093 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.65 -40.12 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 73.32 111.113 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -65.29 -59.29 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.33 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -55.95 -35.77 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 71.41 110.838 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -68.78 -32.59 72.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.85 -35.88 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 72.45 110.987 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -102.88 32.8 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 65.43 110.957 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -114.57 -63.58 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.138 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.912 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.793 0.33 . . . . 75.43 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -176.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 51.45 110.939 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.37 160.24 43.27 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 74.23 110.909 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -48.16 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.704 2.27 . . . . 74.43 112.301 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.4 pp -173.33 177.59 2.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.315 -0.402 . . . . 75.22 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 523' ' ' THR . . . . . 0.4 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -114.46 97.27 45.9 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.574 0.702 . . . . 74.52 111.137 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.5 Cg_endo -69.81 132.92 24.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.248 . . . . 71.15 112.36 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -150.51 154.58 37.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.825 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -163.26 169.69 18.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.21 111.161 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.02 104.44 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 74.31 110.842 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -115.13 -73.5 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 72.35 110.956 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 39.5 t -102.58 33.68 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.884 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.25 -34.81 38.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 75.24 111.119 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -92.94 140.65 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 63.14 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -123.56 134.5 53.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.944 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.54 149.73 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 73.01 111.158 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -81.14 176.95 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.955 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -95.24 114.59 26.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.889 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -138.9 148.55 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 63.43 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.56 128.62 10.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.866 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 121.5 44.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 64.45 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -139.49 174.43 10.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 63.32 111.064 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -145.16 124.77 13.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 74.22 110.922 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 39.2 t -174.68 165.49 3.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 71.05 110.906 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 145.07 -119.67 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 64.24 112.487 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.72 -31.62 17.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.837 0.351 . . . . 73.03 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.69 -31.91 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.54 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -53.13 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.832 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.5 pp -90.98 -28.66 17.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.877 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.02 -47.3 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 64.45 110.944 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -49.92 -50.83 44.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.905 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -59.56 -61.41 2.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.913 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 59.6 t -52.08 -56.39 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 75.23 111.153 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -42.9 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.53 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 78.1 t -68.37 -39.7 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.085 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -46.01 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.916 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.17 -28.06 42.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.44 110.883 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.1 -32.91 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.858 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -32.48 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.879 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -58.85 -72.61 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.751 -0.738 . . . . 74.44 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.08 -57.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 74.21 110.963 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -171.05 179.28 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.54 155.91 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 61.23 111.078 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt -152.64 131.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 73.03 111.12 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.909 179.865 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.789 0.328 . . . . 74.2 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -57.95 120.42 8.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.855 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -150.36 169.16 22.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.894 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -109.56 51.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 65.03 110.821 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.6 159.29 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 73.54 111.107 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.0 m -97.76 145.86 25.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 65.05 110.898 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.6 171.73 15.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 74.45 110.881 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.12 153.84 34.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.832 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.8 t -124.32 170.56 10.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 71.54 110.883 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.64 63.42 4.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 75.01 111.087 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.1 tp -126.19 117.4 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.144 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 p -125.49 132.19 52.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 61.02 110.885 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.2 t -174.6 172.82 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.859 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.05 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.858 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.2 tt -90.16 -34.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.109 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -71.2 -34.78 71.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.846 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.4 t -79.8 -36.41 37.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 64.41 110.948 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.87 -28.68 16.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -50.17 -28.21 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -49.17 -31.25 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 74.1 110.959 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -61.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 74.25 110.867 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.78 -45.85 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.903 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.4 p -59.17 -55.61 32.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 74.41 111.112 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -51.59 -47.47 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 75.23 110.893 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.09 -44.75 91.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 75.31 110.916 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.72 -35.05 76.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 75.51 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.93 -60.89 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.085 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 pp -54.65 -38.16 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.883 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.5 p -64.04 -46.34 84.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 111.18 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -27.09 62.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.936 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.28 -35.06 36.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 74.34 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -83.66 -41.88 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.29 -37.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -135.21 72.35 66.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 73.3 110.811 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 78.16 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 74.22 112.292 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -35.03 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 72.43 110.947 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.29 -35.68 67.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.1 ttt -74.46 -23.42 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -73.55 -42.6 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 74.42 110.775 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.76 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.53 110.927 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -30.38 22.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.926 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.8 -39.57 43.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.842 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -51.9 -41.1 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.857 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -53.87 -61.44 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.45 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -53.25 -48.85 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.33 110.813 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.38 -48.21 74.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.96 -36.4 83.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.875 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.6 ttp -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.897 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.0 t -60.22 -45.21 93.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.117 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 121' ' ' LYS . 22.2 mt-10 -64.22 -29.52 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 74.32 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -78.51 -30.26 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 75.54 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -81.6 -25.49 35.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.915 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 118' ' ' GLU . 0.7 OUTLIER -84.88 -36.52 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.953 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.4 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 27.2 m -70.37 -13.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 75.02 111.146 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.5 -39.31 20.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.93 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.8 mt -93.13 -28.32 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.934 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -46.96 -60.39 3.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.72 . . . . 64.13 110.885 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.2 Cg_endo -69.65 160.17 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.721 2.28 . . . . 64.41 112.41 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.66 -22.16 37.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 71.54 112.456 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.5 m -84.49 49.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 75.43 110.773 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -14.48 7.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 70.44 110.918 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -85.03 23.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.13 160.86 17.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.907 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.57 165.98 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.857 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.3 tt -79.19 -19.19 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.165 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -67.38 -39.44 85.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.12 110.936 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.85 -44.12 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 63.55 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.4 p -52.31 -57.59 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 74.51 111.157 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.39 -50.13 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.893 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.13 -45.02 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.829 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.36 -55.53 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 74.33 111.086 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.87 -42.41 62.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.077 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -63.47 -64.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.855 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.4 -30.89 42.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.9 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -77.22 -31.15 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.855 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.4 tp -52.57 -35.26 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.45 110.948 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -99.61 -53.9 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 65.43 110.949 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.42 30.8 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.03 111.079 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 75.04 110.96 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.812 0.339 . . . . 75.43 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 21.9 mtt -133.23 150.44 51.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 51.45 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.59 158.45 1.52 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 74.23 110.836 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -47.8 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 74.43 112.398 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.39 176.29 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.873 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -119.91 97.11 49.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.602 0.715 . . . . 74.52 111.219 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 152.29 69.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.719 2.28 . . . . 71.15 112.378 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -64.63 124.76 22.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.946 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -149.28 167.95 24.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 74.21 111.173 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.79 105.79 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.829 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -107.94 -74.99 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 72.35 110.89 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 8.3 t -107.5 34.14 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.846 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.36 138.99 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.168 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -58.29 172.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.14 110.913 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -161.88 149.7 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 72.53 110.884 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.28 126.08 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 73.01 111.137 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.48 -173.08 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.852 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -137.32 119.36 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.935 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -107.52 62.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 63.43 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 3.4 m -160.95 102.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.23 110.897 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 112.04 -147.87 18.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 64.45 112.427 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -131.95 167.18 20.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.311 . . . . 63.32 111.077 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -145.46 125.26 13.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.864 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 1.9 t -173.54 179.31 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 71.05 110.846 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -68.39 -32.05 75.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 64.24 112.505 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -89.04 -31.21 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 73.03 110.848 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -48.51 -32.17 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -49.85 -53.22 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.949 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.3 pp -90.65 -27.43 19.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.904 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -47.86 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 64.45 110.951 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -49.32 -52.61 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.839 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -58.86 -61.42 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 72.04 110.911 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 59.2 t -51.05 -56.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 75.23 111.125 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -42.65 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 75.53 110.901 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.99 -40.68 83.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 74.32 111.102 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.32 110.93 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 2.1 pp -79.95 -27.78 39.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 74.44 110.875 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -73.18 -33.51 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.873 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.22 -31.26 19.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.875 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.97 -73.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 74.44 112.525 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.8 -63.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 74.21 110.917 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -175.19 -172.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.862 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.15 156.7 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 61.23 111.072 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 10.0 pt -153.62 129.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.03 111.131 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 21.6 pttm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.908 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 41.7 mtt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.772 0.32 . . . . 74.2 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -85.17 162.7 19.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 71.45 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -150.08 126.31 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -174.5 137.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 65.03 110.884 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.47 160.95 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 73.54 111.057 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.5 p -71.51 161.52 30.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 65.05 110.892 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -170.34 113.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.45 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 m120 63.53 62.46 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 72.13 110.919 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -75.17 158.96 32.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 71.54 110.871 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -127.96 48.41 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 75.01 111.138 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.7 mt -121.89 117.67 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 74.14 111.186 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.9 t -57.52 -74.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 61.02 110.816 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.5 p -78.46 68.1 4.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.908 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -109.66 -169.46 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 75.21 110.865 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.5 mp -51.22 -33.67 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 74.14 111.159 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -50.72 -35.74 32.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.8 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.0 t -56.77 -43.95 81.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.851 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -85.0 -25.88 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.91 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -50.94 -28.65 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 75.03 110.887 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -48.79 -32.17 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -61.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.909 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -57.02 -37.39 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.936 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.6 p -63.17 -56.69 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.41 111.149 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -44.55 72.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.851 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.97 -44.54 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.894 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -62.9 -34.69 77.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.903 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.98 -59.5 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.11 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.07 -38.01 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.935 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.9 p -63.84 -46.66 84.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 75.23 111.187 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -25.7 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.886 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -81.57 -35.13 30.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.956 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -84.67 -35.51 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.38 -40.15 62.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -131.25 66.26 78.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 73.3 110.899 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 76.26 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.243 . . . . 74.22 112.372 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -68.36 -34.3 75.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.43 110.975 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -54.63 -35.09 63.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.934 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.47 -23.44 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 74.43 110.909 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -46.8 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.847 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.89 144.68 37.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.899 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -83.82 -38.66 20.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 74.33 110.967 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.77 -37.63 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.925 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.14 -57.13 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 75.41 110.821 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -56.8 -50.79 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 62.45 110.9 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -52.89 -59.77 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.878 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.86 -41.94 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -39.12 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.95 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.6 tpp -63.42 -58.98 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.923 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t -53.18 -47.28 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.185 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.09 -41.03 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.87 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.855 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -83.49 -31.61 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.867 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -32.99 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.869 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.411 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 28.6 m -72.76 -13.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 75.02 111.075 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HB3' ' HD3' ' B' ' 556' ' ' ARG . 0.3 OUTLIER -83.89 -39.42 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.925 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.3 mt -91.81 -29.21 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.911 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 7.5 tt0 -46.76 -60.16 4.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 64.13 110.916 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 159.19 54.32 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.244 . . . . 64.41 112.352 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.1 -23.05 33.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 71.54 112.54 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.0 m -84.11 49.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 75.43 110.862 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -18.52 6.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.873 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -82.08 24.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.944 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 pp -85.69 163.95 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.881 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.94 145.37 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.828 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -62.06 -19.92 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 74.21 111.16 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.51 -39.94 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -71.53 -44.75 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 63.55 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.4 p -51.46 -59.68 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 74.51 111.195 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -48.7 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.938 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -61.86 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 74.35 110.924 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -51.59 -53.27 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.085 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.86 -33.64 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.118 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -74.84 -64.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.15 -34.8 46.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.92 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -67.82 -33.61 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.869 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.53 -35.29 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 72.45 110.869 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -104.38 34.47 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 65.43 110.937 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.43 140.23 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.03 111.092 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.861 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 19.7 m170 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.87 0.366 . . . . 75.43 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 6.6 ttp -170.88 173.94 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 51.45 110.927 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.21 160.19 72.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.659 0.743 . . . . 74.23 110.859 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.626 2.217 . . . . 74.43 112.396 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -173.33 -169.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 2.8 p -104.72 97.47 12.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 74.52 111.131 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 158.43 57.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 71.15 112.372 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -116.37 128.11 55.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.828 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -177.05 -178.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.08 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.76 149.52 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 74.31 110.831 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -111.67 -67.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 72.35 110.855 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.2 t -134.64 52.58 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.907 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.21 127.31 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 75.24 111.142 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.22 -175.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 63.14 110.914 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -154.47 148.0 25.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.871 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.5 pt -121.63 121.12 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 73.01 111.1 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.5 pp -82.12 149.64 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.954 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 147.04 23.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.898 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -137.1 -170.16 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 63.43 110.883 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.3 m -135.8 -171.71 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 74.23 110.854 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -156.89 178.6 33.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 64.45 112.456 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -168.7 171.23 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 63.32 111.134 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -145.41 160.15 42.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.934 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 30.2 t -160.68 164.29 31.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 71.05 110.848 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 54.62 33.0 54.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 64.24 112.503 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.16 -33.32 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 73.03 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -48.49 -31.93 7.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 73.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.85 -53.8 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.911 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.3 pp -91.18 -29.69 17.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -46.38 53.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 64.45 110.929 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -51.1 -50.07 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.896 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -60.77 -62.29 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.991 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.1 t -51.2 -53.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 75.23 111.147 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -46.52 25.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 75.53 110.896 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.72 -33.51 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 74.32 111.112 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.903 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -87.69 -19.12 28.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.876 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -81.42 -34.43 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.9 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . 0.433 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.04 -28.39 62.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.04 110.915 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -69.27 -76.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 74.44 112.492 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.68 -75.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 74.21 110.945 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -147.56 -174.56 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 64.14 110.89 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.94 164.67 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 61.23 111.124 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.2 pt -152.92 132.7 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 73.03 111.132 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.875 179.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.721 0.296 . . . . 74.2 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -53.61 143.53 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.876 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -96.87 122.19 39.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 71.13 110.891 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.1 t -81.37 92.62 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 65.03 110.867 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.22 117.33 13.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 73.54 111.143 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -76.08 133.7 40.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 65.05 110.908 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -137.53 152.94 50.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.881 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -159.91 111.54 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.13 110.918 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.9 m -142.2 138.98 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.54 110.83 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.28 79.19 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 75.01 111.137 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.2 tp -126.92 -37.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.119 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.9 t -92.03 -36.28 13.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 61.02 110.887 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 t 63.15 40.07 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.892 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -156.33 119.95 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.845 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.4 mm -85.04 -35.9 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.134 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -54.25 -35.77 62.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 75.42 110.888 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.8 t -66.33 -48.86 68.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.884 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -51.68 -29.02 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.864 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -51.21 -26.79 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 75.03 110.904 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.45 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.888 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -66.08 -61.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 74.25 110.864 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -54.85 -41.93 71.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.935 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.9 p -59.63 -54.17 49.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.146 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.23 -45.59 72.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 75.23 110.886 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.81 -45.7 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.888 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.49 -33.97 76.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 75.51 110.943 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -60.52 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.32 111.173 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pp -55.58 -40.63 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.943 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.9 p -59.96 -52.38 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.23 111.173 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -28.28 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.915 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -72.66 -47.22 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.91 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -74.96 -42.15 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.903 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -68.97 -36.45 77.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.937 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -137.89 73.73 45.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 73.3 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 107.64 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 74.22 112.336 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -73.84 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 72.43 110.924 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.92 -35.58 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.935 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.4 tpt -75.89 -23.46 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.889 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -89.42 -44.62 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -156.36 105.57 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 72.53 110.842 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -51.73 -36.19 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 74.33 110.83 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -70.26 -41.2 73.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 73.11 110.928 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.04 -42.13 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.861 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.47 -48.85 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 62.45 110.913 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -60.26 -56.01 26.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 71.33 110.867 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.88 -43.94 63.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 72.44 110.898 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 73.22 110.901 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -61.84 -59.45 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 75.03 110.923 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 t -54.68 -47.22 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.24 111.159 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.05 -35.23 80.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.872 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.93 -26.57 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 75.54 110.814 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -82.95 -30.15 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.949 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -81.52 -32.01 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.946 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.43 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 35.0 m -72.43 -14.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 75.02 111.109 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.55 -40.5 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.915 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -93.12 -29.45 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.477 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -43.89 -60.49 2.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.737 0.779 . . . . 64.13 110.963 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.74 158.34 57.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.684 2.256 . . . . 64.41 112.391 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.87 -16.55 56.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 71.54 112.501 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 m -81.79 51.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 75.43 110.842 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -21.98 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 70.44 110.837 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -86.4 24.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 74.24 110.878 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.9 pp -82.32 164.56 21.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.927 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.3 146.53 40.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.794 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.11 -34.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 74.21 111.14 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.92 -35.52 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 75.12 110.931 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -76.28 -34.73 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.55 110.951 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 18.2 p -59.53 -50.22 74.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.51 111.144 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.5 mt -74.08 -45.06 51.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.843 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.17 -45.34 87.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 74.35 110.841 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.05 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.07 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.91 -35.21 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.089 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -71.55 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -55.2 -37.08 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 71.41 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -66.24 -33.45 75.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.75 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 72.45 110.83 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -104.51 34.02 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 65.43 110.893 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -101.63 -46.92 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.03 111.062 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 75.04 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 14.5 m170 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 75.43 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 8.0 mtt -136.81 146.93 46.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 51.45 110.916 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.52 158.56 1.44 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 74.23 110.885 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -48.3 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.646 2.23 . . . . 74.43 112.319 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.65 173.41 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 75.22 110.947 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -129.1 97.22 26.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.523 0.677 . . . . 74.52 111.138 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -176.18 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.733 2.289 . . . . 71.15 112.282 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -168.95 173.88 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 74.23 110.898 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -154.25 -179.39 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 74.21 111.085 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.75 115.41 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.829 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.52 -166.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.35 110.831 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 29.5 m -68.33 84.44 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.864 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 97.1 t -121.19 -37.56 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 75.24 111.1 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -53.35 152.2 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 63.14 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -152.92 167.21 29.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.895 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -142.19 149.52 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.01 111.102 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.5 pp -82.52 134.8 35.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.874 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -148.18 123.58 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 73.44 110.878 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -151.82 143.79 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 63.43 110.913 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.3 147.37 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.85 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 177.79 149.45 7.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 64.45 112.45 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -175.51 167.76 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 63.32 111.04 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -145.22 122.86 11.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.924 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.74 153.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 71.05 110.916 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -104.38 29.19 12.4 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.792 -0.718 . . . . 64.24 112.511 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -90.37 -33.95 15.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 73.03 110.849 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.22 -31.62 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.877 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -49.29 -53.08 23.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 75.25 110.935 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.3 pp -91.15 -29.13 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.921 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -47.6 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 64.45 110.882 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -48.92 -50.51 34.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.831 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -60.39 -60.86 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 72.04 110.973 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.3 t -52.83 -57.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 75.23 111.164 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -37.97 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.39 -42.56 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.151 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -41.25 88.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.7 pp -83.65 -27.63 28.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.96 -33.68 66.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.894 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.05 -31.99 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 73.04 110.854 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.16 -70.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 74.44 112.508 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -144.76 -49.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 74.21 110.944 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -169.78 178.55 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.14 110.9 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.36 161.69 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 61.23 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt -152.22 133.28 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 73.03 111.193 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.885 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.788 0.328 . . . . 74.2 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.67 142.54 57.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 71.45 110.835 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -114.79 145.02 42.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 71.13 110.836 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 p -84.63 164.43 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.482 . . . . 65.03 110.885 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -114.68 157.65 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.54 111.128 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.6 t 56.48 39.53 29.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 65.05 110.892 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.76 152.85 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.91 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -174.21 131.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.13 110.862 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.17 125.31 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 71.54 110.925 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.63 92.53 7.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.048 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.5 mt -147.01 113.19 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.14 111.136 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 p -70.85 -74.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 61.02 110.814 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -66.92 97.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.827 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -170.48 -178.79 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.838 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 tp -51.34 -32.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 74.14 111.1 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -51.42 -35.28 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 t -64.17 -45.02 90.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 64.41 110.878 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.82 -27.99 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -50.78 -27.34 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 75.03 110.879 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.96 -31.49 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -67.85 -58.97 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.907 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.16 -39.52 72.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.871 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.0 p -63.12 -54.95 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.41 111.112 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -53.19 -48.77 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 75.23 110.955 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.34 -44.99 92.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.862 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -61.01 -34.25 74.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.51 110.945 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.32 111.022 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.47 -35.21 62.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.91 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.2 p -67.4 -44.92 77.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 75.23 111.183 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.3 63.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.847 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -84.12 -33.8 24.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.779 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -82.72 -37.04 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.06 -40.04 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 74.32 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -127.86 66.05 69.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 73.3 110.821 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 75.81 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.616 2.211 . . . . 74.22 112.361 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -81.12 -30.64 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -70.41 -25.86 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.899 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -23.06 59.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.876 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.19 -34.62 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 74.42 110.853 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -131.91 94.15 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.804 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -67.58 -41.46 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.928 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.66 -40.46 60.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.862 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 -40.55 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.844 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -51.84 -48.79 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.922 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.85 -57.32 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 71.33 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -52.78 -44.69 66.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.84 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.57 -36.49 84.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 73.22 110.967 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.1 ttp -63.98 -59.25 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.93 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 t -54.34 -46.85 72.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.24 111.124 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -65.06 -42.23 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.22 -28.96 69.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.54 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -81.8 -31.81 31.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.1 110.929 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -33.83 37.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.435 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 20.3 m -73.16 -14.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 75.02 111.136 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.77 -34.41 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.919 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.33 -28.12 17.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.954 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.3 tp10 -47.81 -59.79 5.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.681 0.753 . . . . 64.13 110.928 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.78 154.28 67.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 64.41 112.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.37 -15.41 57.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.469 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.6 p -83.03 49.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 75.43 110.809 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -18.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.893 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -88.42 24.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.839 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 pp -87.16 163.28 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 75.24 110.905 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.86 140.75 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.812 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 8.4 tt -58.94 -20.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 74.21 111.128 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -37.5 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.12 110.94 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -71.95 -43.71 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.55 110.818 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.3 p -53.49 -57.14 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 74.51 111.166 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.51 -49.71 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.936 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.22 -46.61 62.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.35 110.921 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.2 73.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.067 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.17 -37.66 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 73.32 111.191 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -68.67 -61.83 1.65 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.897 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.66 -39.9 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.41 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -64.14 -33.78 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.21 110.877 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.6 tp -63.92 -35.66 81.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 72.45 110.863 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -105.47 34.63 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 65.43 110.882 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.49 117.92 22.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.089 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.04 110.967 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 64.0 m170 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.857 0.36 . . . . 75.43 110.845 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 4.5 ptp -160.32 178.8 9.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 51.45 110.937 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.81 160.17 78.86 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.657 0.742 . . . . 74.23 110.874 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -44.54 2.03 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.669 2.246 . . . . 74.43 112.311 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.8 179.31 8.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.892 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -122.78 97.26 44.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.597 0.713 . . . . 74.52 111.113 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 173.56 10.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 71.15 112.383 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -141.97 150.66 41.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.868 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -135.02 -179.47 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.108 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 4.9 p -86.92 128.72 35.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.8 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -118.07 -73.62 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.497 . . . . 72.35 110.86 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 81.7 p -114.41 50.0 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.836 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 57.4 t -110.32 133.53 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 75.24 111.157 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.17 178.17 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 63.14 110.847 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -163.05 150.4 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 72.53 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.4 pt -120.56 126.7 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 73.01 111.083 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 3.3 pp -52.96 128.57 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.887 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -112.67 86.69 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -130.7 70.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 63.43 110.859 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.8 p -179.44 136.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.882 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -77.62 -34.0 41.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.741 . . . . 64.45 112.517 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -100.88 173.02 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 63.32 111.147 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -145.25 124.35 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.867 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 1.2 p -169.89 160.93 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 71.05 110.899 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 104.77 34.07 3.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 64.24 112.479 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -90.04 -32.03 16.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.867 0.365 . . . . 73.03 110.871 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -49.04 -31.74 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.896 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.62 -52.0 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.95 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.2 pp -91.94 -29.3 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.934 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.21 -45.51 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.972 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -50.73 -51.73 47.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.849 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -60.46 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 72.04 110.901 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 59.2 t -50.44 -54.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 75.23 111.112 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -45.43 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 97.0 t -67.16 -35.7 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.121 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -44.55 96.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 70.32 110.89 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.25 -25.84 29.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -74.8 -33.46 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.25 110.864 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -32.12 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.04 110.859 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -57.92 -77.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 74.44 112.507 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -132.69 -50.46 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 74.21 110.928 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -174.89 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.897 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.84 159.81 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 61.23 111.081 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.7 pt -152.31 137.21 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.03 111.169 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 19.4 pttt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 75.33 110.841 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.822 0.344 . . . . 74.2 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -75.66 153.56 37.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 71.45 110.877 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -97.93 135.31 39.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 71.13 110.87 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.3 m -84.99 167.06 16.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 65.03 110.839 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.51 126.37 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 73.54 111.133 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 p -111.66 78.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 65.05 110.833 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -81.29 163.85 22.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -134.97 -58.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 72.13 110.821 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 m -136.27 145.5 45.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.54 110.869 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.61 37.1 4.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 75.01 111.046 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.8 mt -93.33 -39.93 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.14 111.132 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.8 p -81.28 89.55 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.896 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -52.8 144.74 13.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 74.11 110.891 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.5 m -143.38 108.13 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.818 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.14 -37.86 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 74.14 111.14 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -52.22 -35.74 50.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 75.42 110.848 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -66.93 -40.28 87.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.863 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -51.76 -29.21 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.868 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -51.36 -26.4 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.03 110.898 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.47 7.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 74.1 110.928 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -66.31 -61.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 74.25 110.908 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.6 -42.22 67.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.41 110.978 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -60.74 -52.54 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.41 111.211 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -53.85 -47.12 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.969 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.18 -44.44 95.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.933 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -62.82 -34.4 77.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 75.51 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -60.97 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.109 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.62 -38.65 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 73.41 110.92 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.5 p -63.01 -48.12 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.176 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -25.9 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 74.4 110.831 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -80.02 -35.24 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.04 -37.13 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.914 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -74.68 -36.56 62.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -133.23 68.09 77.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 73.3 110.794 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 73.58 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 74.22 112.34 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.51 -34.85 51.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.43 110.93 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -53.33 -31.52 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 72.42 110.908 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.0 ttm -86.78 -23.59 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.893 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -78.73 -44.87 22.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.87 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -156.09 114.14 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.53 110.824 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -51.76 -35.3 43.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 74.33 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.15 -40.94 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 73.11 110.87 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.29 -37.26 69.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.78 -49.17 66.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.32 -49.65 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 72.44 110.948 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.922 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 75.03 110.951 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 t -55.95 -45.31 78.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.24 111.124 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -65.59 -42.77 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 74.32 110.883 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -61.37 -29.29 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.894 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -82.0 -32.9 30.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 75.1 110.899 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -78.72 -34.41 45.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.898 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.42 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 21.7 m -73.3 -16.47 17.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 75.02 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.408 ' HB3' ' HD3' ' B' ' 556' ' ' ARG . 0.3 OUTLIER -81.14 -36.38 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.921 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.9 mt -92.07 -7.86 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.973 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.467 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -65.49 -60.54 7.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 64.13 110.903 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.71 158.8 55.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 64.41 112.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.29 -19.87 44.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 71.54 112.485 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.3 m -82.9 50.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 75.43 110.858 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -51.93 -20.89 2.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 70.44 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -85.36 24.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.929 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.69 164.02 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.937 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.02 140.64 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.84 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 tt -59.59 -20.53 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.111 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -66.45 -38.08 86.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.937 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -71.04 -44.46 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 63.55 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.8 p -53.46 -58.33 7.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 74.51 111.141 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 48.4 mt -62.68 -49.36 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.896 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.42 -47.37 63.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.67 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 74.33 111.087 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.2 69.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 73.32 111.109 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -64.38 -63.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.867 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.13 -38.42 65.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -64.44 -33.74 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.82 -35.09 79.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 72.45 110.944 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -104.62 34.17 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 65.43 110.932 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -91.39 111.06 22.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.099 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.944 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.829 0.347 . . . . 75.43 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.55 20.7 12.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 51.45 110.838 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -81.3 156.59 71.33 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.677 0.751 . . . . 74.23 110.798 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -47.64 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.279 . . . . 74.43 112.334 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.29 172.17 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.874 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -122.05 97.3 45.88 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.59 0.709 . . . . 74.52 111.135 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.91 26.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.626 2.217 . . . . 71.15 112.308 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -129.46 166.21 20.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.815 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -153.75 161.65 41.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.21 111.085 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 75.68 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.31 110.896 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -86.42 -72.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 72.35 110.829 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 13.5 m -100.95 50.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.829 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.66 133.64 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 75.24 111.127 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -146.61 -178.05 5.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 63.14 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -172.46 156.82 3.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 72.53 110.856 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 1.2 pp -145.29 160.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 73.01 111.147 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' B' ' 534' ' ' LEU . 0.0 OUTLIER -51.24 169.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 73.33 110.906 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -124.42 123.76 40.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.921 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.49 169.6 8.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 63.43 110.935 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 2.6 m -138.46 -68.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.864 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -158.52 -166.0 16.83 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.716 -0.754 . . . . 64.45 112.501 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -144.87 169.13 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 63.32 111.047 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -145.09 -175.07 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.884 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 3.2 t -176.7 119.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 71.05 110.909 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 93.18 -36.41 3.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 64.24 112.455 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -89.56 -30.42 18.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 73.03 110.836 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -48.46 -32.04 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.54 110.878 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -52.45 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.9 -30.65 16.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.895 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.8 -46.25 64.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 64.45 110.936 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -49.81 -51.38 40.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.868 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -59.53 -61.74 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 57.5 t -51.39 -55.75 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 75.23 111.108 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.06 -43.3 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 85.5 t -67.91 -38.17 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.129 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -45.74 90.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.943 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -81.28 -27.03 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.66 -32.96 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.906 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . 0.408 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -88.39 -32.12 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 73.04 110.874 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.42 -76.91 0.2 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 74.44 112.496 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -65.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 74.21 110.833 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -162.2 -176.38 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 64.14 110.87 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -69.21 154.98 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 61.23 111.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.3 pt -152.83 132.03 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.08 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.33 110.921 179.826 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.8 0.333 . . . . 74.2 110.852 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.88 155.91 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 71.45 110.932 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -141.39 144.42 34.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.858 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -114.63 129.28 56.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 65.03 110.846 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.86 -44.74 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.54 111.083 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -98.81 80.24 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 65.05 110.858 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -33.29 75.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.45 110.859 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 p30 179.61 175.58 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 72.13 110.918 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -113.93 146.31 40.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.54 110.866 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -106.73 66.17 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 75.01 111.177 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.4 tt -119.66 117.0 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.171 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.26 -175.5 4.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 61.02 110.8 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.83 -36.81 8.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.515 . . . . 74.11 110.881 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -38.83 59.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 75.21 110.86 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 tp -51.96 -33.83 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.125 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -54.76 -35.5 63.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.948 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t -76.44 -43.59 39.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 64.41 110.86 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -51.55 -29.44 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 72.23 110.909 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.33 -26.27 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 75.03 110.91 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -48.43 -32.24 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 74.1 110.922 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -68.27 -55.75 11.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -55.39 -46.33 76.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.9 p -60.34 -51.44 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 74.41 111.179 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.48 -50.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.933 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -44.44 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.61 -34.68 77.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.51 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.72 -60.82 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 74.32 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pp -54.84 -39.84 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.881 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.4 p -61.47 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.173 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -26.9 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.841 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -76.36 -42.79 43.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.849 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.0 -43.04 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -69.04 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -138.01 73.97 44.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.528 0.68 . . . . 73.3 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.03 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 74.22 112.364 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -36.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.43 110.937 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -67.87 -36.0 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.933 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 30.8 tpp -74.62 -23.71 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.939 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -86.94 -48.19 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.902 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -156.25 139.12 15.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 72.53 110.803 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -71.75 -36.56 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 74.33 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.22 -39.88 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.66 -52.63 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.845 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.31 -51.27 62.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 62.45 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -57.47 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.901 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -52.1 -42.5 63.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.917 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -38.03 89.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.869 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -64.46 -58.93 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.6 t -53.59 -46.19 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 75.24 111.151 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.52 -42.19 87.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 74.32 110.872 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -60.26 -29.27 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -82.71 -33.59 27.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.1 110.873 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.77 -33.33 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 75.21 110.928 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.427 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 19.8 m -74.72 -16.43 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 75.02 111.075 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.413 ' HB3' ' HD3' ' B' ' 556' ' ' ARG . 0.4 OUTLIER -81.21 -35.52 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.902 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.39 -7.74 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.469 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -66.01 -60.75 6.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 64.13 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.74 158.65 56.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.737 2.291 . . . . 64.41 112.332 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.21 -19.54 45.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 71.54 112.468 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.0 m -83.14 50.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 75.43 110.828 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -51.64 -20.98 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 70.44 110.898 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -85.78 24.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.75 163.88 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.952 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.27 141.0 58.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.904 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.4 tt -58.87 -20.91 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.21 111.175 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -64.54 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.948 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -72.15 -45.98 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 63.55 110.939 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.0 p -51.64 -56.34 14.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 74.51 111.131 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.42 -45.99 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 73.04 110.887 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.0 tt -51.76 -53.31 41.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 74.35 110.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.09 81.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.139 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.69 -34.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.078 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -72.48 -61.37 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -55.67 -33.95 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.882 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -68.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.834 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.42 -35.47 81.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.87 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -104.37 34.07 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 65.43 110.971 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -98.59 119.04 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.086 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 75.04 110.917 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 52.1 t60 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.796 0.332 . . . . 75.43 110.834 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.39 164.91 11.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 51.45 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.0 160.2 3.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 74.23 110.843 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -44.83 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 74.43 112.367 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.91 179.98 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 75.22 110.938 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -123.42 97.19 42.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.519 0.676 . . . . 74.52 111.146 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.31 66.34 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.658 2.238 . . . . 71.15 112.365 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.62 158.51 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.884 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -131.14 138.7 49.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 74.21 111.134 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.97 178.2 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.838 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -154.7 125.91 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 72.35 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 1.7 t 50.45 31.68 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.848 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 10.7 p -93.18 142.24 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 75.24 111.127 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -144.07 142.06 30.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 63.14 110.934 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -170.52 133.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.875 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.9 149.51 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 73.01 111.119 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' B' ' 534' ' ' LEU . 0.0 OUTLIER -51.2 169.33 0.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.93 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -128.56 89.88 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.888 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -143.47 -176.42 4.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 63.43 110.871 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 58.4 m -57.85 159.24 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.869 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -81.08 59.74 4.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.735 . . . . 64.45 112.478 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -174.96 170.5 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 63.32 111.121 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -145.16 124.42 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.943 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.24 162.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 71.05 110.897 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -149.73 33.87 1.06 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 64.24 112.485 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.14 -34.88 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 73.03 110.911 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -44.86 -32.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -47.79 -56.4 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.966 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.4 pp -92.27 -32.93 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.914 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -50.4 -46.48 56.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.45 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -49.38 -51.42 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.905 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -59.0 -60.23 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.896 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 58.2 t -51.93 -55.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.23 111.117 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -46.25 -41.45 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 89.4 t -68.89 -39.09 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.116 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -45.54 94.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 70.32 110.998 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.83 -27.69 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 74.44 110.948 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.63 -32.93 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.887 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . 0.413 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -89.84 -32.39 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.885 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.18 -74.66 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 74.44 112.497 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -136.97 -49.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 74.21 110.949 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.49 174.23 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.889 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.1 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 61.23 111.122 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt -152.68 130.52 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 73.03 111.091 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 75.33 110.935 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.762 0.315 . . . . 74.2 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.04 127.1 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 71.45 110.861 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -100.55 102.05 13.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.804 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -59.17 152.89 19.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 65.03 110.856 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -141.74 135.99 30.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 73.54 111.086 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.2 t -88.32 96.93 10.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.05 110.899 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tttt 59.43 97.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 74.45 110.921 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -76.33 -178.71 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 m -103.44 140.5 37.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 71.54 110.833 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.42 112.25 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.01 111.035 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.9 mt -136.31 81.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 74.14 111.152 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 p -158.06 161.34 38.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 61.02 110.888 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 p -115.01 36.39 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 74.11 110.818 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.8 m -92.28 61.02 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.874 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 55.6 mt -62.19 -40.4 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.14 111.114 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -41.57 81.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.885 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.84 -40.35 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.921 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -53.59 -27.43 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -27.83 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.874 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.95 -31.48 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.964 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.38 -61.58 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.939 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.72 -38.11 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.5 p -62.39 -55.82 24.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.147 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -55.12 -43.13 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.912 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.43 -45.29 94.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.872 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.97 -34.64 77.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.88 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.9 -60.68 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 74.32 111.09 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.76 -38.86 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 73.41 110.891 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.4 p -62.84 -48.02 80.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 75.23 111.136 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -26.9 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.918 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -79.11 -37.65 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.894 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -81.92 -36.71 27.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.922 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.96 -39.44 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -132.13 67.63 79.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 73.3 110.878 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.41 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.736 2.291 . . . . 74.22 112.377 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.78 -36.84 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.43 110.965 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.99 -33.39 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.902 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.2 mtt -74.61 -23.61 58.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.866 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -87.25 -46.46 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 74.42 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.81 117.66 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.883 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -55.67 -36.63 67.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.03 -58.75 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -52.05 -46.86 65.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 62.45 110.907 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.56 -59.2 4.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.927 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -51.78 -43.71 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 72.44 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -38.17 90.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.9 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.22 -59.93 4.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.03 110.894 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 t -52.78 -47.09 67.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.191 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.92 -41.15 91.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.852 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.39 -24.9 67.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -84.45 -35.53 22.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.96 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -31.14 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.964 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.428 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 25.3 m -74.8 -13.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 75.02 111.122 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -35.08 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 74.02 110.929 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.31 -29.72 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.977 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.6 tt0 -47.99 -60.21 4.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.668 0.747 . . . . 64.13 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.9 Cg_endo -69.73 154.62 67.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 64.41 112.389 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.67 -15.69 56.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 71.54 112.518 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.9 m -82.23 49.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 75.43 110.844 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.89 -19.83 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.902 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -86.58 24.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 74.24 110.865 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.33 161.3 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 75.24 110.928 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -62.37 140.39 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.877 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 tt -58.23 -20.81 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 74.21 111.154 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.43 -36.21 82.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.12 110.924 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -73.45 -43.34 60.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.905 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.4 p -53.29 -55.44 24.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 74.51 111.167 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.8 tp -66.78 -48.8 67.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.929 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.88 -50.33 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.35 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.31 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.067 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.49 -42.01 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.113 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -66.43 -62.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.917 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.19 -35.13 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.864 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.5 mtt-85 -69.2 -32.96 72.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.7 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.45 110.934 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -104.78 33.73 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 65.43 110.905 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.45 -176.38 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.146 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.428 . . . . 75.04 110.877 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.834 0.349 . . . . 75.43 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 40.6 mtt -132.13 174.97 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 51.45 110.812 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.29 160.21 76.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 74.23 110.848 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.645 2.23 . . . . 74.43 112.337 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.11 -168.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 75.22 110.867 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 2.5 p -104.53 97.82 13.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.592 0.711 . . . . 74.52 111.144 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 176.14 7.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 71.15 112.318 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 18.3 t70 59.15 56.63 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.834 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -122.25 54.13 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 74.21 111.132 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 65.8 p -164.28 149.18 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -121.16 -72.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.886 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 95.1 p -131.55 46.94 2.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.864 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 88.4 t -112.86 132.64 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 75.24 111.068 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -152.59 161.71 42.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 63.14 110.868 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -135.16 120.3 18.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.53 110.922 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 1.2 pp -157.98 163.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 73.01 111.144 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -59.17 165.97 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.33 110.93 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -86.72 77.28 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.912 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -107.34 -32.91 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 63.43 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.65 32.22 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.883 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 117.26 157.36 10.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 64.45 112.447 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -102.19 161.51 13.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 63.32 111.113 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -122.22 126.28 47.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.951 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 8.0 t -179.28 111.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 71.05 110.825 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.09 -44.5 2.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 64.24 112.484 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -89.9 -31.25 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 73.03 110.848 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -48.79 -31.93 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.832 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -52.89 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.923 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.5 pp -91.14 -29.1 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.932 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -46.19 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.886 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -51.2 -50.66 58.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.859 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -60.01 -62.22 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.889 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 52.9 t -51.36 -54.0 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 75.23 111.178 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -43.84 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.9 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.62 -35.67 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 74.32 111.131 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -43.99 93.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 70.32 110.874 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -85.27 -26.67 26.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.864 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -73.48 -33.46 64.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.865 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -31.74 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.883 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.91 -80.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 74.44 112.51 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -131.43 -50.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 74.21 110.921 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.83 -169.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -63.91 163.73 11.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 61.23 111.102 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt -152.97 131.86 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.133 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.844 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 60.1 mtp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.764 0.316 . . . . 74.2 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -76.77 127.64 33.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.849 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 53.86 45.7 27.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 71.13 110.858 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 t 53.45 54.43 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 65.03 110.84 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -168.12 143.59 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 73.54 111.113 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.8 m -120.63 134.99 55.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 65.05 110.907 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -83.44 126.27 32.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.839 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -176.26 -178.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 72.13 110.915 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -60.4 115.63 3.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 71.54 110.847 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.2 109.29 21.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 75.01 111.093 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.3 mt -117.6 70.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.5 t -102.03 174.65 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 61.02 110.819 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.2 t -133.82 -41.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.862 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -95.27 36.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.5 tt -85.01 -34.44 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 74.14 111.106 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -53.6 -34.0 56.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.89 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.2 m -50.75 -38.25 46.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.873 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -85.19 -30.16 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.869 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -25.47 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.03 110.904 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.23 -32.32 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -67.91 -55.17 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 74.25 110.939 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -54.18 -44.37 71.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.913 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.2 p -62.77 -49.86 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 74.41 111.138 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -52.98 -49.94 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.895 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.45 -45.16 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 75.31 110.901 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.42 -34.54 76.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.884 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -60.48 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.32 111.195 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.99 -38.07 67.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.927 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.9 p -64.0 -46.87 82.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.148 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -26.13 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.848 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -80.82 -35.0 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.892 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -84.56 -36.86 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.919 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -74.45 -38.56 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -132.72 67.3 78.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 73.3 110.848 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 74.22 112.331 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.09 -40.82 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 72.43 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -56.06 -34.17 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.915 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 tpt -74.49 -23.53 58.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.949 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -87.5 -40.13 14.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -156.2 103.98 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.823 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -51.26 -39.49 56.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 74.33 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.66 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 73.11 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.79 -46.3 91.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -52.28 -47.97 65.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 62.45 110.85 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.13 -59.67 4.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.891 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -52.39 -41.6 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.947 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.83 -39.36 93.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 73.22 110.872 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.51 -58.87 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.905 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.5 t -53.56 -46.75 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 75.24 111.141 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.99 -41.89 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.909 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -62.12 -27.79 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.864 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -83.13 -31.51 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.1 110.906 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -80.8 -33.64 34.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 75.21 110.861 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.431 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 26.8 m -72.07 -14.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.02 111.178 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.81 -41.81 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.6 tp -93.14 -8.44 42.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.846 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.5 tp10 -64.78 -60.71 7.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 64.13 110.864 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.75 164.99 32.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 64.41 112.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -21.01 39.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.68 -0.772 . . . . 71.54 112.41 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 64.0 m -83.48 49.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 75.43 110.852 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -21.95 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 70.44 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.17 24.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.819 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 pp -82.14 163.75 21.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 75.24 110.9 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 141.67 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.861 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.0 tt -59.6 -20.24 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 74.21 111.119 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -65.68 -36.99 85.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -73.94 -43.18 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.935 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.4 p -53.2 -52.12 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.51 111.109 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.28 -50.01 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.04 110.935 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.65 -51.91 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.35 110.99 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.09 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 74.33 111.087 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.0 -35.0 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.089 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -71.73 -62.76 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 73.33 110.804 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.83 -36.39 62.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.899 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -65.25 -34.09 77.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.54 -36.38 84.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 72.45 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -102.42 33.29 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 65.43 110.944 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.95 111.56 23.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.074 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.907 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.815 0.34 . . . . 75.43 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.66 154.09 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 51.45 110.871 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.87 160.28 58.55 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.666 0.746 . . . . 74.23 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -45.27 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.633 2.222 . . . . 74.43 112.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.81 178.45 9.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 75.22 110.973 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 523' ' ' THR . . . . . 0.401 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -121.21 97.05 47.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.522 0.677 . . . . 74.52 111.212 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.8 Cg_endo -69.67 169.02 19.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.642 2.228 . . . . 71.15 112.363 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -161.2 160.5 30.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.895 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -173.91 163.44 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.21 111.059 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.45 179.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.856 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -136.89 -65.22 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.936 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 9.8 t -95.81 33.08 1.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.88 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 6.3 p -73.53 142.08 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 75.24 111.108 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.95 174.05 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 63.14 110.932 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -149.25 144.72 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 72.53 110.853 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.05 135.66 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.01 111.122 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -62.1 -173.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.982 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 115.65 14.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.912 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -133.51 158.34 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.43 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 5.6 t -174.68 -178.62 1.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.797 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -175.53 179.45 46.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 64.45 112.443 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -155.52 166.9 32.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.299 . . . . 63.32 111.098 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -145.97 -174.95 4.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 74.22 110.961 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 5.1 t -179.61 158.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 71.05 110.896 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 106.62 -102.8 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.797 -0.716 . . . . 64.24 112.529 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -14.37 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.378 . . . . 73.03 110.919 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -45.53 -30.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.853 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -48.36 -57.32 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.25 110.956 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.72 -30.09 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.864 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.38 -46.56 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 64.45 110.928 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -49.89 -51.26 41.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.875 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -59.42 -60.43 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 72.04 110.87 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 77.1 t -51.38 -53.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.14 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -41.77 29.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.53 110.871 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.33 -33.66 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.122 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -40.76 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 70.32 110.937 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.82 -26.36 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.901 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.8 -34.4 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.9 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -29.01 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -62.09 -80.08 0.12 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.747 . . . . 74.44 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.66 -76.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 74.21 110.923 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -95.43 -166.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 64.14 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -126.58 163.77 22.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 61.23 111.086 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.6 pt -152.55 140.02 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.157 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 7.0 mttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.835 179.86 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.7 ttm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.784 0.326 . . . . 74.2 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.03 162.72 25.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 71.45 110.856 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -162.63 160.83 26.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.84 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.25 -172.59 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 65.03 110.861 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.2 170.69 15.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 73.54 111.082 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -162.44 -179.28 6.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 65.05 110.792 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -175.63 128.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.916 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -178.43 142.86 0.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 72.13 110.845 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.57 113.89 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 71.54 110.887 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -148.33 101.8 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 75.01 111.112 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.18 95.13 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 74.14 111.118 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.8 p -179.28 161.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 61.02 110.914 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.31 118.4 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.501 . . . . 74.11 110.803 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.3 m -161.42 -173.97 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 75.21 110.848 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 mp -50.74 -31.21 9.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.14 111.126 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -50.28 -33.67 20.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.891 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.9 m -54.0 -34.39 59.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 64.41 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.893 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -51.57 -25.81 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 75.03 110.963 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -47.71 -32.54 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 74.1 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -59.59 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 74.25 110.867 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -55.91 -47.67 77.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.8 p -58.28 -54.65 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 74.41 111.155 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.14 63.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.88 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.12 -44.9 96.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 75.31 110.884 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.14 -34.78 77.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 75.51 110.817 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.32 111.169 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.93 -38.37 67.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.913 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.9 p -63.31 -47.32 82.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 75.23 111.182 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -26.49 62.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 74.4 110.855 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -79.89 -35.63 37.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.831 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -84.38 -36.5 22.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.901 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -74.15 -39.86 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -132.08 67.18 78.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.612 0.72 . . . . 73.3 110.874 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.74 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.697 2.265 . . . . 74.22 112.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.1 -28.18 69.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.94 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -71.28 -28.04 63.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 16.1 mtp -74.1 -23.48 59.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.911 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.36 -35.84 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.7 m -150.13 126.77 10.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.865 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -77.45 -36.96 52.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.875 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.41 -39.61 85.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 73.11 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -57.04 -48.78 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.904 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -54.71 -40.8 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 62.45 110.897 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.25 -59.91 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 71.33 110.859 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -52.58 -41.05 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.871 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.914 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -65.07 -58.56 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 75.03 110.911 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 t -53.12 -46.51 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 75.24 111.143 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.2 -39.81 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.915 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -62.71 -28.16 69.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 75.54 110.77 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -83.75 -33.83 24.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 75.1 110.914 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.95 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.413 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 32.6 m -74.17 -14.4 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 75.02 111.128 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.42 -37.46 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.942 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.37 -29.28 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.959 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.2 tp10 -47.29 -59.93 4.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 64.13 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.73 156.38 63.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 64.41 112.385 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.36 -20.15 42.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 71.54 112.475 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 65.4 m -85.51 47.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 75.43 110.82 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -15.37 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 70.44 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -73.62 -3.86 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.841 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.17 159.44 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.926 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.47 168.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.914 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 7.4 tt -79.18 -20.07 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 74.21 111.126 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -66.95 -38.88 86.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -71.13 -39.47 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 63.55 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.2 p -59.94 -58.36 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.51 111.145 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -44.66 96.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.945 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.2 tt -58.42 -51.78 68.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.35 110.947 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.27 -53.43 57.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.33 111.04 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.93 -52.13 52.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.104 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -53.22 -59.32 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 73.33 110.87 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -55.62 -36.52 67.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.41 110.869 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -66.77 -33.46 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 72.21 110.825 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.8 -36.33 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.949 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -104.59 34.75 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 65.43 110.965 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -92.86 -38.53 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 73.03 111.082 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 75.04 110.896 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 10.4 m170 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.811 0.338 . . . . 75.43 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.9 156.16 49.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 51.45 110.869 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.23 157.5 22.9 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 74.23 110.87 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -47.88 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 74.43 112.359 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.3 pp -171.94 -179.35 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.907 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -111.19 97.22 34.26 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 74.52 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -172.82 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 71.15 112.316 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.78 115.32 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.828 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -158.2 103.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.21 111.127 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 2.8 p 46.35 83.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 74.31 110.844 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -96.05 -73.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 72.35 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 1.2 t -98.94 36.33 1.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.907 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 95.9 t -115.66 143.91 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.24 111.082 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -79.89 140.38 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 63.14 110.897 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -142.0 165.08 28.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.88 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.97 -176.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 73.01 111.132 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' B' ' 534' ' ' LEU . 0.0 OUTLIER -51.21 169.29 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.867 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -142.88 158.53 43.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.983 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -151.62 -179.48 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 63.43 110.873 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 39.1 t -174.68 170.01 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.878 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 128.56 119.2 2.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 64.45 112.515 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -164.75 162.76 21.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 63.32 111.1 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.2 m0 -121.97 130.35 53.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.943 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.36 164.02 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 71.05 110.891 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -167.49 -48.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 64.24 112.482 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.83 -31.53 17.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 73.03 110.811 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -48.98 -32.05 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.889 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -49.58 -52.63 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.2 pp -91.07 -29.09 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 75.31 110.948 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -47.5 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.973 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -49.25 -52.0 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.86 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -59.28 -61.43 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.04 110.93 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 59.0 t -51.56 -56.45 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 75.23 111.164 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -44.97 -43.49 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.38 -40.26 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 74.32 111.169 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.32 110.912 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.78 -27.82 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.861 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.06 -33.34 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.895 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -31.02 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.908 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -68.43 -37.03 85.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 74.44 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.03 -75.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 74.21 110.823 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.1 -174.28 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.81 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.54 154.15 42.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 61.23 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.8 pt -152.6 131.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.112 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 26.2 mttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 75.33 110.85 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.6 mtm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.821 0.343 . . . . 74.2 110.917 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -61.82 160.85 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.896 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -127.98 50.6 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.851 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 p -119.5 94.69 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 65.03 110.828 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.5 118.34 9.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 73.54 111.091 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.5 p -117.7 123.93 47.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 65.05 110.817 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 164.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.909 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -138.56 158.99 43.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.422 . . . . 72.13 110.919 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -160.54 170.93 19.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 71.54 110.854 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.02 35.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 75.01 111.069 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.85 -28.95 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.127 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.5 t -164.72 141.26 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 61.02 110.809 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -93.24 173.19 7.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.88 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.2 68.5 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.789 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.22 -34.82 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.14 111.094 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -51.43 -44.12 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 75.42 110.866 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 p -74.9 -34.47 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 64.41 110.884 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.12 -28.62 18.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -27.24 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 75.03 110.903 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.75 -31.51 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 74.1 110.92 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -67.87 -58.57 4.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.886 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.918 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 71.9 p -58.14 -53.58 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.086 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.35 -49.39 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 75.23 110.901 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -48.3 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.884 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.02 -35.42 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 75.51 110.923 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.83 -60.66 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.32 111.096 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.1 -37.34 69.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.9 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.2 p -63.53 -48.15 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.114 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -27.38 62.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -78.25 -36.28 47.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.897 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -83.46 -40.26 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.885 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -71.42 -37.72 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.807 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -134.29 71.0 72.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.56 0.695 . . . . 73.3 110.879 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 83.79 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 74.22 112.367 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.48 83.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.96 -32.47 70.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.937 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.8 mtt -74.71 -23.51 58.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.881 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -88.42 -45.62 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.09 117.44 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.869 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -51.75 -35.68 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.33 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.9 -41.56 78.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.11 110.864 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -52.69 -59.02 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 75.41 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.88 -48.9 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 62.45 110.937 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.96 -59.72 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 71.33 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -51.78 -42.12 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -39.41 94.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.974 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.2 ttt -64.04 -60.73 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t -50.77 -46.93 59.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.138 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -67.05 -39.37 86.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.848 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -62.06 -28.31 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.864 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -84.05 -34.32 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 75.1 110.927 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -76.72 -32.87 58.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 75.21 110.905 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.411 ' O ' ' CD ' ' A' ' 126' ' ' PRO . 29.7 m -74.78 -14.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 75.02 111.122 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -37.64 21.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 74.02 110.909 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 53.7 mt -92.21 -29.6 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.933 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.3 tp10 -47.23 -60.3 4.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 64.13 110.879 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 158.31 57.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 64.41 112.379 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.54 -21.7 36.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 71.54 112.428 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.27 48.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 75.43 110.904 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -57.83 -16.38 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 70.44 110.857 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -74.26 -1.23 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.923 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.8 pp -63.77 163.82 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 75.24 110.952 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.69 152.36 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.869 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.4 ' O ' ' OG1' ' A' ' 136' ' ' THR . 3.1 tt -64.79 -20.11 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.107 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.932 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 63.55 110.924 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 133' ' ' ILE . 28.2 p -51.0 -52.46 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 74.51 111.116 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -38.53 63.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.04 111.006 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -46.7 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.35 110.903 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.82 -48.48 37.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.04 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.19 -38.07 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 73.32 111.078 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -72.82 -57.27 4.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.841 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -56.0 -34.45 65.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.906 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -69.98 -32.7 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.21 110.888 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.0 tp -63.21 -34.75 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 72.45 110.924 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -104.52 33.5 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.911 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.23 -179.62 3.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.103 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.95 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 75.43 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 21.1 mtp -117.03 164.5 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 51.45 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.14 160.13 83.55 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.537 0.684 . . . . 74.23 110.899 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.67 -47.68 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.738 2.292 . . . . 74.43 112.373 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.42 176.2 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 75.22 110.894 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.2 97.2 43.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 74.52 111.093 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 161.15 47.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.597 2.198 . . . . 71.15 112.357 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -77.43 156.09 31.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.895 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -124.65 41.68 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.21 111.094 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 86.3 p -164.44 134.16 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.844 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -131.67 -74.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 72.35 110.914 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 4.9 t -103.05 33.82 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.882 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.23 144.72 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 75.24 111.049 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -153.19 -179.89 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 63.14 110.884 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -163.55 150.54 12.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.4 124.4 72.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 73.01 111.185 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 3.1 pp -59.59 129.67 43.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.33 110.903 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -100.03 87.11 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.44 110.875 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -122.17 108.04 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 63.43 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 4.8 p -165.0 150.29 9.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.858 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 111.28 33.86 2.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 64.45 112.513 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -157.19 168.32 27.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 63.32 111.112 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -145.62 155.45 43.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.913 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 24.7 t -176.7 160.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 71.05 110.916 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 97.52 -77.3 0.64 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 64.24 112.507 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.02 -34.41 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 73.03 110.854 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.81 -31.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 73.54 110.864 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -47.61 -57.47 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.857 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 4.6 pp -92.0 -32.58 15.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 75.31 110.948 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.0 -46.16 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.928 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -50.68 -49.89 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 74.44 110.904 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -59.27 -59.56 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 72.04 110.943 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 43.3 t -53.45 -55.23 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.23 111.1 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -46.27 -42.28 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.839 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 97.6 t -71.17 -36.85 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.155 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 553' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -45.06 92.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 70.32 110.979 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -28.4 33.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.968 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.61 -32.81 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.918 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.894 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.76 -74.45 0.32 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.749 . . . . 74.44 112.472 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -136.74 -48.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.731 0.3 . . . . 74.21 110.91 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -174.71 176.83 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 64.14 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -66.2 160.33 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 61.23 111.095 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt -153.01 131.22 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.03 111.135 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.97 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.805 0.336 . . . . 44.32 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -52.09 -28.5 17.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -50.31 -27.8 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.98 -31.35 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.887 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.22 -61.27 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.883 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -56.49 -45.77 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.41 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.781 HG21 ' CE2' ' B' ' 553' ' ' TYR . 58.0 p -58.74 -55.48 34.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 53.31 111.118 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.44 ' HG3' HD13 ' B' ' 546' ' ' LEU . 10.4 ttmt -53.01 -43.67 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.915 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 96' ' ' LEU . 53.2 tt0 -61.11 -45.38 94.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.899 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -62.36 -34.69 77.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 52.42 110.908 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.66 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.124 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.88 -38.57 67.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.923 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.591 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.0 p -63.11 -47.52 82.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 75.23 111.147 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -26.99 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.86 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -79.45 -35.65 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.72 -39.03 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 64.35 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.15 -38.81 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.856 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -133.6 69.61 76.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 73.3 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 73.27 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.743 2.295 . . . . 74.22 112.393 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.54 ' OE1' HD12 ' A' ' 115' ' ' LEU . 6.1 tt0 -53.29 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 72.42 110.873 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -54.68 -34.24 62.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 72.42 110.945 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.4 tpt -78.84 -23.67 44.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 62.3 110.876 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -80.62 -47.9 13.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 71.14 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.54 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.874 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -30.06 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 73.22 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.21 -37.74 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 73.11 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.69 -59.1 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.83 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -51.86 -40.09 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 62.45 110.902 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -60.14 -59.94 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 62.52 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -52.39 -40.68 62.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.743 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -64.52 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.967 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.3 ttt -64.63 -58.89 5.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.921 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -52.45 -46.78 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 75.24 111.132 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.689 ' O ' HG13 ' A' ' 122' ' ' VAL . 36.2 mt-10 -67.43 -38.89 85.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.861 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.616 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 21.2 t80 -61.73 -29.76 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 75.54 110.861 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HG3' HG11 ' B' ' 552' ' ' VAL . 23.1 mtpt -83.14 -34.95 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 75.1 110.977 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -75.5 -33.83 60.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 75.21 110.972 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.1 m -74.91 -14.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 71.34 111.141 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.796 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.06 -33.08 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.896 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.38 -30.82 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.907 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -48.5 -60.24 4.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 64.13 110.855 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.3 Cg_endo -69.76 154.02 68.24 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.686 2.257 . . . . 61.24 112.336 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.62 -18.45 48.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 51.41 112.506 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 131' ' ' LEU . 18.8 m -82.67 50.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 75.43 110.811 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -54.95 -17.95 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 70.44 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -85.81 24.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 62.11 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.096 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -86.74 163.96 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 65.34 110.931 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.505 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -62.28 140.37 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.858 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.76 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.9 tt -59.56 -20.16 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 72.04 111.14 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.93 -37.02 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.899 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.737 ' HB2' HD13 ' A' ' 131' ' ' LEU . 7.2 mm100 -72.96 -42.92 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 63.55 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.096 HG23 HD11 ' A' ' 131' ' ' LEU . 2.1 p -53.67 -55.66 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 52.25 111.067 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -46.34 74.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -53.11 47.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.896 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.1 94.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 44.04 111.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.596 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -60.19 -32.95 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.143 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -74.33 -62.71 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 71.12 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -35.11 48.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -68.45 -33.26 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.84 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.743 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.6 tp -63.11 -35.52 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 62.04 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.89 33.69 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 54.3 110.898 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.016 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 52.52 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.87 -31.79 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.904 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -49.79 -53.26 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.97 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -90.66 -28.93 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.927 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -47.75 57.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.872 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.68 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.55 -50.56 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.952 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.54 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.5 m95 -59.55 -61.07 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.987 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.649 HG12 HD23 ' B' ' 554' ' ' LEU . 60.8 t -52.3 -56.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.119 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -42.73 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.918 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.796 HG12 HD23 ' A' ' 123' ' ' LEU . 70.1 t -67.98 -40.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 73.21 111.105 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.781 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.44 -45.72 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.924 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.649 HD23 HG12 ' B' ' 550' ' ' VAL . 1.1 pp -77.34 -27.13 52.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.897 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.848 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -32.71 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.862 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.73 -69.21 1.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 73.35 112.489 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.83 -49.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.723 0.297 . . . . 71.33 110.853 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -174.35 164.4 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 64.14 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.8 162.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 50.04 111.063 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.2 pt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.147 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.765 0.317 . . . . 44.32 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -85.13 -30.57 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.913 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -51.71 -26.47 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 70.52 110.866 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.44 -31.5 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 74.1 110.919 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -61.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -54.76 -43.04 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.927 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.787 HG21 ' CE2' ' B' ' 553' ' ' TYR . 72.0 p -60.24 -55.43 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 53.31 111.138 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.445 ' HG3' HD13 ' B' ' 546' ' ' LEU . 0.3 OUTLIER -52.15 -46.63 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.23 110.868 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 97' ' ' THR . 3.0 tt0 -60.27 -45.29 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.943 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.03 -34.12 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 52.42 110.923 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.41 -60.7 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 72.43 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.602 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -55.19 -37.99 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.896 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.602 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -63.51 -48.75 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 75.23 111.175 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -25.73 62.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.822 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -80.3 -36.94 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 64.11 110.892 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.22 -36.29 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 64.35 110.902 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.34 -39.23 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.849 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -132.14 67.17 78.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 73.3 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 104.13 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.759 2.306 . . . . 74.22 112.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -36.21 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 72.42 110.884 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -60.94 -32.52 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.917 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.0 tpt -76.64 -23.66 53.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 62.3 110.886 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.69 -48.54 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.924 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.33 127.44 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 72.53 110.909 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -36.06 78.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.956 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.72 -42.4 97.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.512 ' OD2' HD21 ' A' ' 144' ' ' LEU . 3.6 t0 -58.54 -58.87 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -47.62 72.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -52.49 -59.76 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 62.52 110.829 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.36 -41.53 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.919 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.732 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.35 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 72.35 110.924 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.2 ttm -65.17 -58.98 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 75.03 110.84 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -52.76 -46.08 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 75.24 111.139 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.6 tp10 -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.875 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.6 ' O ' HD22 ' A' ' 123' ' ' LEU . 17.4 t80 -61.42 -29.27 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.857 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.415 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.7 mtpp -83.86 -35.26 24.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.942 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -75.44 -33.86 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.21 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.6 m -73.97 -14.83 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.34 111.169 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.81 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -84.92 -37.03 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 74.02 110.905 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.2 mt -92.29 -29.8 16.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.987 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.14 -60.04 4.53 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.615 0.722 . . . . 64.13 110.908 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 61.24 112.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 -19.45 46.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 51.41 112.54 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.475 ' O ' HD23 ' A' ' 131' ' ' LEU . 20.9 m -84.38 49.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 75.43 110.916 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -57.09 -17.46 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 70.44 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.83 23.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 62.11 110.882 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.767 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.3 pp -84.67 165.13 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 65.34 110.864 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.7 m -65.25 140.45 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.834 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.576 HG21 HG22 ' A' ' 91' ' ' THR . 1.0 OUTLIER -55.06 -32.01 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 72.04 111.129 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -52.37 -36.47 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.927 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 131' ' ' LEU . 6.7 mm100 -76.26 -38.86 55.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 63.55 110.929 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.674 ' HB ' HD11 ' A' ' 123' ' ' LEU . 23.0 p -54.65 -50.73 67.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 52.25 111.128 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.515 HD23 ' CE2' ' A' ' 119' ' ' PHE . 79.4 mt -74.06 -48.59 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.911 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.3 tt -51.77 -47.29 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 71.33 110.931 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.25 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 44.04 111.085 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.99 -36.44 39.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.32 111.079 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -71.55 -59.39 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 71.12 110.811 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -54.55 -35.15 62.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 65.25 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -68.7 -33.12 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.913 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.732 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.9 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 62.04 110.841 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 33.87 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 54.3 110.877 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.03 111.126 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.833 0.349 . . . . 52.52 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -48.72 -32.01 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -49.79 -52.93 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.86 -28.8 17.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.981 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.33 62.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 64.45 110.903 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.695 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.5 ptmt -49.82 -51.19 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.922 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.548 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.8 m95 -59.03 -60.95 3.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.834 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.409 HG12 HD23 ' B' ' 554' ' ' LEU . 45.9 t -52.43 -56.03 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 70.33 111.118 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -45.52 -40.98 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.81 HG12 HD23 ' A' ' 123' ' ' LEU . 84.7 t -70.26 -39.45 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.087 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.787 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.06 -44.92 87.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.947 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.409 HD23 HG12 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -80.93 -28.63 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.872 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.73 -33.09 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.861 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -33.07 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.862 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.28 -70.61 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 73.35 112.512 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -139.01 -49.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.706 0.288 . . . . 71.33 110.876 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -174.78 176.49 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.14 110.842 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.99 157.27 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 50.04 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.8 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.143 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.757 0.313 . . . . 44.32 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -55.05 -25.39 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.909 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -49.52 -29.37 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 70.52 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.65 -31.16 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -70.02 -61.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.923 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -54.03 -45.87 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.919 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.802 HG21 ' CE2' ' B' ' 553' ' ' TYR . 69.0 p -61.64 -55.85 26.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 53.31 111.187 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.08 -45.92 64.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 75.23 110.874 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 97' ' ' THR . 36.5 tt0 -60.63 -45.63 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.878 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -61.4 -34.29 75.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 52.42 110.907 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.85 -60.77 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 72.43 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.86 -37.0 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.897 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.1 p -64.99 -47.42 77.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.23 111.082 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.3 62.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 70.44 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -81.42 -35.06 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 64.11 110.868 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -83.65 -36.83 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 64.35 110.853 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.46 -39.88 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.855 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -129.93 66.85 78.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 73.3 110.903 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 74.22 112.359 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.02 -35.97 82.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -58.5 -33.79 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.923 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.3 tpp -74.3 -23.63 59.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 62.3 110.851 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -86.95 -42.37 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 71.14 110.854 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 110.87 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.877 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.57 -39.2 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.11 -35.99 82.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -56.48 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.34 -39.49 57.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 62.45 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.16 -58.36 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 62.52 110.873 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -52.64 -42.86 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.925 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.726 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.1 tt -64.54 -37.49 87.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 72.35 110.946 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.76 -59.11 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.3 t -53.0 -46.02 68.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.154 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.703 ' O ' HG13 ' A' ' 122' ' ' VAL . 32.0 mt-10 -67.83 -39.88 83.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.614 ' O ' HD22 ' A' ' 123' ' ' LEU . 20.8 t80 -60.53 -29.75 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 75.54 110.907 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HG3' HG11 ' B' ' 552' ' ' VAL . 11.3 mtpp -83.73 -35.51 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.888 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -74.91 -33.5 62.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.904 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 118' ' ' GLU . 24.7 m -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.121 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.798 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -83.51 -37.58 22.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.962 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.9 mt -92.11 -8.1 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.926 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 2.7 tt0 -66.78 -60.38 6.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.615 0.721 . . . . 64.13 110.915 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.79 158.84 55.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.622 2.215 . . . . 61.24 112.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.45 -17.28 53.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 51.41 112.425 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.485 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.5 m -84.69 49.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 75.43 110.881 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -53.3 -20.55 4.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.927 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -85.26 23.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 62.11 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.2 pp -84.12 165.17 18.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 65.34 110.932 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.7 m -66.48 140.71 58.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.903 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.612 HD12 ' CG ' ' B' ' 553' ' ' TYR . 1.1 tt -55.06 -33.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 72.04 111.124 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.42 -35.88 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.884 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.754 ' HB2' HD13 ' A' ' 131' ' ' LEU . 8.5 mm100 -75.68 -39.66 57.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 63.55 110.869 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.683 ' HB ' HD11 ' A' ' 123' ' ' LEU . 22.0 p -55.14 -51.44 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 52.25 111.123 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' A' ' 119' ' ' PHE . 78.3 mt -72.14 -49.95 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.889 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.22 -44.36 64.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.936 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.24 -56.02 10.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 44.04 111.093 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.573 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.23 -40.65 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.041 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.43 -64.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -53.06 -30.06 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 65.25 110.907 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -77.61 -31.27 52.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.887 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.726 HD22 ' HG ' ' A' ' 115' ' ' LEU . 40.7 tp -52.5 -35.13 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 62.04 110.937 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -96.89 -54.49 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 54.3 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.093 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.835 0.35 . . . . 52.52 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.57 -32.13 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.862 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -49.62 -53.31 24.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.74 -28.51 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.856 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.955 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.4 ptmt -49.51 -51.22 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.879 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.551 ' CH2' HD22 ' A' ' 115' ' ' LEU . 69.8 m95 -59.25 -61.05 2.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 72.04 110.955 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.493 HG12 HD23 ' B' ' 554' ' ' LEU . 58.7 t -52.06 -56.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 70.33 111.136 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -45.41 -41.49 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.53 110.847 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.798 HG12 HD23 ' A' ' 123' ' ' LEU . 69.2 t -68.92 -39.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.128 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.802 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.72 -45.38 92.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 65.22 110.914 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.493 HD23 HG12 ' B' ' 550' ' ' VAL . 1.4 pp -78.77 -27.77 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.9 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.42 -33.1 62.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.847 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -32.69 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 73.04 110.892 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.54 -72.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 73.35 112.462 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -138.14 -48.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 71.33 110.869 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -174.65 171.49 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.86 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -60.61 159.57 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 50.04 111.104 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.142 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.809 0.338 . . . . 44.32 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -52.74 -28.81 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 72.23 110.836 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.589 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -52.37 -25.62 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 70.52 110.995 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.33 -31.89 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 74.1 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -60.79 2.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.6 -37.21 72.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.782 ' HB ' HD13 ' A' ' 133' ' ' ILE . 65.0 p -65.38 -52.81 51.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 53.31 111.122 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.578 ' HD3' HG21 ' B' ' 550' ' ' VAL . 0.7 OUTLIER -55.32 -50.18 70.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.88 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 97' ' ' THR . 29.8 tt0 -59.38 -46.63 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.884 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -58.66 -35.73 73.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 52.42 110.934 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.16 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.43 111.103 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.6 pp -54.83 -38.27 67.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 71.41 110.958 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 19.2 p -63.14 -47.2 83.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.193 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.638 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -72.02 -26.88 62.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.867 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -79.11 -35.33 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 64.11 110.835 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.57 -41.01 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 64.35 110.926 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.49 -39.93 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -133.51 72.73 74.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 73.3 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 73.87 1.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.752 2.301 . . . . 74.22 112.381 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -33.3 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.914 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -66.13 -35.12 79.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.42 110.961 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.4 tpt -74.57 -23.66 58.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 62.3 110.913 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -86.25 -45.67 11.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 71.14 110.906 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.04 116.43 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.899 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -52.28 -35.75 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.948 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.81 -36.78 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.931 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.23 -56.67 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.832 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -57.49 -39.66 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 62.45 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -60.08 -60.12 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 62.52 110.889 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.26 -40.87 71.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 72.44 110.889 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.778 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -65.03 -39.19 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.838 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -58.71 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.898 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.8 t -53.02 -46.39 68.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.184 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' HG13 ' A' ' 122' ' ' VAL . 12.3 mm-40 -67.72 -38.89 84.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 73.11 110.896 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.633 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 21.7 t80 -61.78 -29.99 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.923 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -82.98 -35.51 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 75.1 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -75.13 -33.7 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.869 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.5 m -75.35 -13.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 71.34 111.117 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.797 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.06 -36.09 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.924 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 57.4 mt -91.82 -29.83 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 75.34 110.905 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 3.7 tt0 -48.14 -60.21 4.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 64.13 110.945 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.66 156.67 62.99 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.749 2.3 . . . . 61.24 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.68 -19.73 43.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 51.41 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.558 ' O ' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -83.21 50.49 1.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.972 0.415 . . . . 75.43 110.901 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -56.8 -16.09 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 70.44 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -86.34 23.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 62.11 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.052 HD11 HG23 ' A' ' 136' ' ' THR . 4.1 pp -86.72 163.99 17.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 65.34 110.936 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.487 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -62.59 140.95 58.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.866 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.782 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -59.44 -20.16 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 72.04 111.112 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.26 -36.25 82.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 75.12 110.948 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.758 ' HB2' HD13 ' A' ' 131' ' ' LEU . 26.9 mm-40 -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 63.55 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.052 HG23 HD11 ' A' ' 131' ' ' LEU . 3.0 p -53.65 -54.03 43.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 52.25 111.182 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.638 HD21 ' CD2' ' A' ' 98' ' ' PHE . 8.9 tp -68.73 -48.42 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.933 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.4 tt -51.42 -47.41 63.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.969 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.96 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 44.04 111.02 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.9 -40.86 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.32 111.101 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -66.92 -62.1 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.19 -37.27 54.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 65.25 110.858 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -66.87 -33.03 74.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.778 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.6 tp -63.78 -35.49 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 62.04 110.923 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -105.09 34.35 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 54.3 110.939 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.08 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 52.52 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.79 -32.27 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.54 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -49.58 -52.57 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -91.13 -29.15 17.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 71.42 110.878 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 547' ' ' GLN . . . . . 0.489 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.1 tt0 -50.92 -46.97 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 64.45 110.897 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.682 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.8 ptmt -50.26 -50.66 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.933 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.486 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.8 m95 -59.48 -61.75 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.899 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.578 HG21 ' HD3' ' A' ' 92' ' ' LYS . 48.8 t -52.15 -55.45 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 70.33 111.159 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -46.26 -42.33 14.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.797 HG12 HD23 ' A' ' 123' ' ' LEU . 76.4 t -69.61 -37.63 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.128 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.771 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.43 -45.2 88.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 65.22 110.954 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -27.21 32.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.949 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.96 -32.72 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.838 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.37 -32.61 18.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 73.04 110.83 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.79 -77.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 73.35 112.518 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 -75.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 71.33 110.882 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.02 -174.81 4.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.934 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.99 158.11 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 50.04 111.118 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 16.6 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.128 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.801 0.334 . . . . 44.32 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.37 -23.05 46.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.904 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 91' ' ' THR . 53.4 mmtt -49.6 -29.97 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 70.52 110.839 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -49.32 -32.06 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 74.1 110.944 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.62 -61.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 72.22 110.928 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.27 -35.79 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 72.41 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.796 HG21 ' CE2' ' B' ' 553' ' ' TYR . 67.5 p -65.51 -58.07 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 53.31 111.108 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.764 ' HD2' HG21 ' B' ' 550' ' ' VAL . 4.6 tptt -51.94 -47.12 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.916 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.6 tt0 -61.01 -45.14 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.925 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.99 -34.45 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 52.42 110.917 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.43 -60.72 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.057 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.8 pp -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.41 110.946 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.599 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -64.3 -47.71 78.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.157 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.31 61.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.825 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -81.56 -36.0 29.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.11 110.828 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -83.72 -36.85 23.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 64.35 110.961 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -73.96 -39.67 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.855 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -132.73 67.4 78.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.586 0.708 . . . . 73.3 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.11 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 74.22 112.339 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.543 ' OE1' HD12 ' A' ' 115' ' ' LEU . 16.6 tt0 -57.97 -34.79 70.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.915 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.89 -33.18 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.42 110.935 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -23.69 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 62.3 110.833 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -89.58 -37.56 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 71.14 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 106.73 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.9 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -34.42 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.87 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.71 -43.66 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.11 110.843 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.46 -47.23 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.806 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.17 -35.45 77.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 62.45 110.853 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.64 -59.76 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 62.52 110.942 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.666 ' HG3' HD11 ' A' ' 144' ' ' LEU . 3.4 pt20 -54.33 -41.81 69.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.861 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.758 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -65.18 -37.73 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 72.35 110.932 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -64.62 -58.69 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.03 110.867 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.6 t -53.42 -46.0 69.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.24 111.158 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.66 ' O ' HG13 ' A' ' 122' ' ' VAL . 19.4 mt-10 -68.06 -37.69 81.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.896 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.606 ' O ' HD22 ' A' ' 123' ' ' LEU . 20.2 t80 -62.07 -30.11 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.876 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.404 ' HG3' HG11 ' B' ' 552' ' ' VAL . 23.2 mtpt -83.86 -35.76 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.877 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -74.44 -33.67 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 118' ' ' GLU . 33.7 m -74.86 -14.26 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 71.34 111.124 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.79 HD23 HG12 ' B' ' 552' ' ' VAL . 0.6 OUTLIER -87.0 -34.41 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.872 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.62 -31.7 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.56 -60.3 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.669 0.747 . . . . 64.13 110.932 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.77 153.9 68.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.222 . . . . 61.24 112.359 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.57 -18.65 47.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.713 -0.756 . . . . 51.41 112.408 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.513 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.9 t -86.0 49.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 75.43 110.875 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -16.87 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.904 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -74.38 -1.11 19.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 62.11 110.855 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.1 pp -63.52 164.83 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 65.34 110.866 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.428 ' O ' HD12 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -69.79 144.09 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.846 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.65 HG21 HG22 ' A' ' 91' ' ' THR . 1.8 tt -56.2 -33.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.04 111.113 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -51.12 -36.07 38.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.94 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.729 ' HB2' HD13 ' A' ' 131' ' ' LEU . 24.0 mm-40 -76.8 -37.66 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 63.55 110.907 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.674 ' HB ' HD11 ' A' ' 123' ' ' LEU . 21.1 p -56.83 -49.65 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 52.25 111.069 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 119' ' ' PHE . 87.4 mt -74.4 -48.23 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.947 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.69 -42.61 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.33 -56.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 44.04 111.087 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.64 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.12 -35.77 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.32 111.08 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.28 -64.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 71.12 110.914 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.02 -35.84 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 65.25 110.911 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.7 -34.29 77.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.758 HD22 ' HG ' ' A' ' 115' ' ' LEU . 9.4 tp -64.57 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 62.04 110.964 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.455 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -104.52 34.07 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 54.3 110.899 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.058 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.876 0.37 . . . . 52.52 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -48.64 -31.89 7.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.54 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -49.64 -52.84 27.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.88 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.19 -29.29 17.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 71.42 110.906 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -47.33 63.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 64.45 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.689 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.39 -51.47 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.891 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -59.2 -61.07 2.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.928 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.764 HG21 ' HD2' ' A' ' 92' ' ' LYS . 49.2 t -52.02 -56.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 70.33 111.067 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -45.23 -42.56 9.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.887 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.79 HG12 HD23 ' A' ' 123' ' ' LEU . 93.6 t -69.16 -39.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.118 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.42 -46.14 87.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 65.22 110.93 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.421 HD23 HG12 ' B' ' 550' ' ' VAL . 1.0 OUTLIER -80.04 -27.06 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 74.44 110.941 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.86 -32.73 65.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.888 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -32.46 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.04 110.939 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -64.38 -71.07 0.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 73.35 112.443 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.82 -74.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 71.33 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -160.58 -173.9 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 64.14 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.97 157.49 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 50.04 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 561' ' ' ILE . . . . . 0.419 ' CG1' HD22 ' B' ' 554' ' ' LEU . 14.1 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.111 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.741 0.305 . . . . 44.32 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -52.41 -27.98 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -50.06 -28.14 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 70.52 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.99 -31.53 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -69.73 -60.13 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -55.87 -46.97 78.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.92 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.828 HG22 HG21 ' A' ' 133' ' ' ILE . 65.8 p -59.92 -55.06 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 53.31 111.095 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -47.58 62.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.88 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -59.08 -47.31 85.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.924 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.15 -35.43 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 52.42 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.61 -60.28 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 97' ' ' THR . 2.7 pp -56.12 -37.75 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 71.41 110.894 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.613 ' N ' HD12 ' A' ' 96' ' ' LEU . 19.6 p -63.2 -48.3 78.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.181 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.765 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.65 -27.3 62.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 70.44 110.895 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -78.11 -37.78 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.872 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -82.05 -39.75 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 64.35 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.71 -36.79 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -135.39 71.0 67.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 73.3 110.863 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 80.37 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.746 2.297 . . . . 74.22 112.446 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -35.94 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.887 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -59.82 -34.26 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.954 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 tpt -74.43 -23.44 58.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 62.3 110.867 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -83.54 -48.24 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.893 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.18 118.85 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.53 110.843 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.73 -35.7 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.929 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.08 -39.44 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.856 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.535 ' OD2' HD21 ' A' ' 144' ' ' LEU . 2.1 t0 -53.12 -58.92 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.899 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -51.86 -43.61 63.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 62.45 110.898 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.44 -58.93 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 62.52 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -51.2 -43.05 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.948 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.735 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -64.26 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.917 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -64.99 -59.28 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.88 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 118' ' ' GLU . 2.7 t -51.92 -47.32 64.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.11 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.686 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -67.53 -37.7 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.858 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 23.1 t80 -62.01 -30.27 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.887 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -82.85 -35.13 26.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 75.1 110.902 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -33.78 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 118' ' ' GLU . 30.5 m -75.31 -13.99 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.119 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.8 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -85.87 -36.98 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.911 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.78 -28.91 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 75.34 110.946 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.5 tp10 -48.77 -60.1 5.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 64.13 110.906 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.72 156.77 62.58 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.741 2.294 . . . . 61.24 112.352 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 -18.77 47.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 51.41 112.506 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.53 ' O ' HD23 ' A' ' 131' ' ' LEU . 47.8 m -83.11 50.48 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 75.43 110.88 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -58.1 -15.51 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -86.62 23.96 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 62.11 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.108 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -87.75 163.62 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.914 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.31 140.48 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.807 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.828 HG21 HG22 ' A' ' 91' ' ' THR . 2.9 tt -59.39 -20.17 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 72.04 111.144 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.9 -36.09 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.73 ' HB2' HD13 ' A' ' 131' ' ' LEU . 27.8 mm-40 -73.88 -41.96 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 63.55 110.858 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.108 HG23 HD11 ' A' ' 131' ' ' LEU . 2.1 p -54.78 -54.04 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 52.25 111.132 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.765 HD21 ' CD2' ' A' ' 98' ' ' PHE . 9.8 tp -68.22 -47.57 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.926 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.15 -45.46 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.991 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.68 38.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 44.04 111.077 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -55.63 -34.88 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 73.32 111.062 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -71.19 -62.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.12 110.873 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -54.12 -38.98 66.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 65.25 110.856 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -63.53 -33.9 76.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.856 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.735 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.3 tp -64.34 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 62.04 110.88 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -106.13 34.27 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 54.3 110.864 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 73.03 111.133 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 52.52 110.846 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.91 -32.13 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -49.74 -52.69 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -90.93 -29.18 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.879 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.26 -47.13 55.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.45 110.906 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.678 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.0 ptmt -50.3 -50.17 51.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.933 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.515 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.6 m95 -60.15 -61.27 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.885 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.507 HG12 HD23 ' B' ' 554' ' ' LEU . 62.5 t -52.13 -56.18 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 70.33 111.145 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -45.88 -42.81 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.827 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.8 HG12 HD23 ' A' ' 123' ' ' LEU . 71.5 t -68.45 -38.41 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 73.21 111.186 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.785 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.0 -45.31 95.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 65.22 110.89 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.507 HD23 HG12 ' B' ' 550' ' ' VAL . 1.2 pp -79.53 -26.94 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 74.44 110.905 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.55 -33.16 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.888 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -32.37 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.903 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.17 -74.76 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 73.35 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -135.14 -50.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 71.33 110.978 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -174.65 172.87 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 64.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.82 162.27 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 50.04 111.098 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.145 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.852 0.358 . . . . 44.32 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.88 -28.97 17.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 72.23 110.933 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 91' ' ' THR . 5.7 mptt -50.56 -27.45 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 70.52 110.929 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.63 -31.68 7.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 74.1 110.877 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -68.32 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 72.22 110.908 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -57.6 -39.54 77.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 72.41 110.916 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.758 HG21 ' CE2' ' B' ' 553' ' ' TYR . 69.7 p -63.19 -53.07 58.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 53.31 111.232 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.666 ' HE2' HG21 ' B' ' 550' ' ' VAL . 0.2 OUTLIER -55.14 -47.7 74.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.939 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 96' ' ' LEU . 4.8 tt0 -59.91 -45.32 92.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.834 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 52.42 110.873 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.44 -60.78 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 72.43 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.88 -37.89 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.41 110.869 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.607 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.0 p -63.86 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 75.23 111.11 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -24.5 62.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.822 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -81.94 -35.34 29.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 64.11 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -84.94 -36.4 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 64.35 110.914 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.74 -40.14 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.857 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -132.56 67.55 78.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 73.3 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 73.37 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 74.22 112.352 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -35.72 46.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.911 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.52 -34.23 70.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.93 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.8 mtp -74.52 -23.44 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 62.3 110.928 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -87.27 -35.84 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 71.14 110.858 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -154.68 116.49 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.929 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -58.28 -41.82 85.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.92 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.24 -37.56 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.885 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.6 -49.76 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -53.03 -53.62 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 62.45 110.821 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.46 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 62.52 110.84 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.79 -42.44 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 72.44 110.957 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.719 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.58 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.889 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.9 ttt -63.84 -59.09 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.915 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -53.62 -46.37 70.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 75.24 111.167 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.9 OUTLIER -66.12 -41.2 90.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.824 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.571 ' O ' HD22 ' A' ' 123' ' ' LEU . 13.1 t80 -62.1 -28.03 69.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.83 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.463 ' HG3' HG11 ' B' ' 552' ' ' VAL . 27.8 mtpt -83.28 -32.4 26.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.799 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -79.56 -32.93 42.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 75.21 110.951 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 118' ' ' GLU . 28.1 m -73.32 -13.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.154 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.827 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.49 -37.79 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 74.02 110.938 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.17 -29.6 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.921 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -46.79 -60.47 3.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.679 0.752 . . . . 64.13 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.79 159.37 53.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 61.24 112.346 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.14 -19.62 45.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.737 -0.744 . . . . 51.41 112.564 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.438 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.9 m -84.0 49.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 75.43 110.818 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -16.71 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.939 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -87.13 24.05 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 62.11 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.043 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -86.59 163.62 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.34 110.942 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -61.56 141.72 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.803 HD12 ' CG ' ' B' ' 553' ' ' TYR . 6.3 tt -59.06 -20.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 72.04 111.129 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 131' ' ' LEU . 29.0 mm-40 -73.7 -42.69 60.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.55 110.906 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.043 HG23 HD11 ' A' ' 131' ' ' LEU . 1.9 p -53.7 -52.34 60.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 52.25 111.106 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 119' ' ' PHE . 87.7 mt -68.82 -50.16 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 73.04 110.939 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.28 -47.09 62.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.927 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.46 -49.95 64.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 44.04 111.123 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.611 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.13 -35.31 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.043 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -71.48 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.3 -37.22 69.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 65.25 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -65.73 -33.51 76.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.932 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.719 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.8 tp -63.5 -35.5 80.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 62.04 110.922 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.27 33.88 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 54.3 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.03 111.089 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.808 0.337 . . . . 52.52 110.831 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -32.15 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.914 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -49.86 -52.93 28.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.78 -28.4 18.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.929 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -47.49 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 64.45 110.908 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.713 ' O ' HG23 ' B' ' 552' ' ' VAL . 11.8 ptmt -50.03 -52.1 36.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 74.23 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.566 ' CH2' HD22 ' A' ' 115' ' ' LEU . 74.3 m95 -58.84 -62.02 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.918 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.666 HG21 ' HE2' ' A' ' 92' ' ' LYS . 48.8 t -51.1 -55.95 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 70.33 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -44.95 -42.92 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.846 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.827 HG12 HD23 ' A' ' 123' ' ' LEU . 99.4 t -67.88 -40.67 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.099 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.803 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -58.95 -44.39 91.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 65.22 110.892 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.475 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -81.18 -26.32 36.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.44 110.94 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.93 -33.28 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.851 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -31.4 19.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 73.04 110.871 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.28 -75.71 0.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 73.35 112.485 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.63 -63.65 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 71.33 110.946 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -175.07 -171.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.835 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -66.52 152.94 44.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 50.04 111.104 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.9 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.123 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.791 0.329 . . . . 44.32 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -52.99 -27.5 19.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.942 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -49.9 -28.36 6.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 70.52 110.93 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.14 -31.38 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -65.34 -61.51 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 72.22 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -49.85 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.961 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.796 HG21 ' CE2' ' B' ' 553' ' ' TYR . 34.0 p -54.97 -56.83 15.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 53.31 111.211 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HG3' HD13 ' B' ' 546' ' ' LEU . 13.5 ttmt -51.15 -42.94 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.953 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 97' ' ' THR . 3.9 tt0 -61.02 -45.43 94.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.951 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.44 -34.97 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 52.42 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.65 -60.73 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 72.43 111.127 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 97' ' ' THR . 2.6 pp -54.86 -39.73 68.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 71.41 110.966 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.582 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.3 p -61.7 -47.02 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 75.23 111.18 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -29.26 64.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 70.44 110.841 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.98 -36.04 59.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 64.11 110.89 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -83.87 -42.75 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 64.35 110.951 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.4 -39.76 85.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.813 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -136.27 74.89 54.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 73.3 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 74.15 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.659 2.239 . . . . 74.22 112.338 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -36.11 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.913 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 72.42 110.878 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.2 tpp -79.65 -23.57 42.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 62.3 110.878 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -48.52 12.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 71.14 110.889 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.24 112.33 3.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.866 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -35.28 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.22 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.64 -37.65 76.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.92 -58.47 8.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.856 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -52.85 -43.9 66.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 62.45 110.886 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.32 -58.46 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 62.52 110.885 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -52.06 -42.6 63.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.98 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.95 85.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 72.35 110.866 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.4 ttp -65.69 -59.17 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 75.03 110.924 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.0 t -51.89 -46.48 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 75.24 111.151 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.9 mm-40 -68.51 -34.89 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.859 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.604 ' O ' HD13 ' A' ' 123' ' ' LEU . 11.5 t80 -65.94 -27.88 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.879 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HG3' HG11 ' B' ' 552' ' ' VAL . 16.5 mtpt -84.39 -36.34 22.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.935 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -73.59 -33.21 64.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.895 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.659 HG21 ' HB2' ' A' ' 140' ' ' ALA . 35.8 m -75.06 -13.47 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 71.34 111.122 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.808 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.93 -35.56 18.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 74.02 110.913 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.66 -29.83 16.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.8 tp10 -49.03 -60.61 4.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.674 0.749 . . . . 64.13 110.877 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.68 155.67 65.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.236 . . . . 61.24 112.411 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.91 -19.47 43.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 51.41 112.539 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.533 ' O ' HD23 ' A' ' 131' ' ' LEU . 58.7 m -85.88 48.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 75.43 110.877 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -58.77 -15.6 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.954 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -73.85 -3.12 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 62.11 110.941 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.1 pp -63.71 164.52 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 65.34 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -71.3 147.67 47.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.901 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.64 HG21 HG22 ' A' ' 91' ' ' THR . 16.2 tt -57.51 -32.41 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 72.04 111.1 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -38.78 34.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.953 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.708 ' HB2' HD13 ' A' ' 131' ' ' LEU . 7.7 mm100 -76.76 -35.14 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.55 110.935 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.717 ' HB ' HD11 ' A' ' 123' ' ' LEU . 20.5 p -59.67 -50.31 74.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 52.25 111.086 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.2 tp -73.16 -47.08 46.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.925 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.57 -51.11 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.888 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.71 -54.84 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 44.04 111.088 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.659 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.88 -45.16 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.084 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -61.49 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.886 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 146' ' ' ALA . 1.7 mm-40 -51.78 -35.72 44.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 65.25 110.91 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -72.99 -32.06 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.875 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 144' ' ' LEU . 1.2 tm? -67.38 -48.1 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 62.04 110.962 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.72 32.82 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 54.3 110.968 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 142' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.03 111.075 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 52.52 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -48.48 -32.19 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -49.9 -53.24 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.494 HD13 ' HG3' ' A' ' 92' ' ' LYS . 4.5 pp -90.48 -28.37 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.939 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 547' ' ' GLN . . . . . 0.422 ' N ' HD12 ' B' ' 546' ' ' LEU . 0.5 OUTLIER -50.58 -47.75 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 64.45 110.85 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.712 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.86 -51.17 42.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.933 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -58.98 -60.89 3.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 72.04 110.859 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 56.3 t -52.36 -55.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 70.33 111.106 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -41.21 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.868 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 123' ' ' LEU . 94.4 t -70.24 -39.17 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.107 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -57.87 -45.53 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 65.22 110.888 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -28.33 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.934 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.84 -32.91 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.839 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -32.63 17.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.934 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.52 -78.22 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 73.35 112.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -57.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 71.33 110.939 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -174.63 -175.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 64.14 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -67.67 154.12 42.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 50.04 111.088 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.118 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.5 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.741 0.305 . . . . 44.32 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.72 -29.37 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 72.23 110.899 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -51.34 -26.41 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 70.52 110.856 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.66 -31.69 7.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.432 . . . . 74.1 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -61.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.945 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.39 -37.15 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.776 HG21 ' CE2' ' B' ' 553' ' ' TYR . 62.5 p -64.17 -55.67 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 53.31 111.172 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.87 -45.19 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HA ' HD21 ' A' ' 96' ' ' LEU . 3.2 tt0 -61.07 -44.97 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.887 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.38 -34.76 77.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 52.42 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.83 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.43 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.59 -38.44 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 71.41 110.932 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.6 p -63.46 -47.14 83.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.23 111.188 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.639 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.92 -26.22 62.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.874 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.3 -36.01 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.881 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -83.69 -37.29 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 64.35 110.932 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -36.03 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.856 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -132.05 68.06 79.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 73.3 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.687 2.258 . . . . 74.22 112.309 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.68 -35.34 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 72.42 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.17 -34.69 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -74.74 -23.48 58.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 62.3 110.871 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -85.86 -48.53 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.36 137.36 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.915 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -68.41 -36.13 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.878 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.45 -36.21 60.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.914 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.33 -52.7 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -55.38 21.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 62.45 110.838 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.04 -55.73 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.52 110.933 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -50.98 -46.88 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 141' ' ' HIS . 0.2 OUTLIER -63.94 -34.24 77.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 72.35 110.917 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.3 ttt -66.58 -59.88 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.03 110.873 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -52.16 -46.17 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.137 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.5 mt-10 -67.9 -35.22 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 73.11 110.888 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.607 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 17.6 t80 -65.29 -28.86 69.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.862 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HG3' HG11 ' B' ' 552' ' ' VAL . 14.7 mtpt -83.75 -35.51 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.1 110.91 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -74.51 -33.25 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.937 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 140' ' ' ALA . 35.5 m -74.93 -15.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 71.34 111.166 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.803 HD23 HG12 ' B' ' 552' ' ' VAL . 0.4 OUTLIER -84.7 -36.47 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.895 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.67 -8.04 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.4 tt0 -68.61 -60.52 4.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.611 0.72 . . . . 64.13 110.84 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.75 158.25 57.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 61.24 112.333 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -18.87 47.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 51.41 112.527 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.544 ' O ' HD23 ' A' ' 131' ' ' LEU . 0.8 OUTLIER -83.18 50.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 75.43 110.814 -179.693 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -18.77 4.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.892 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -85.73 24.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 62.11 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.135 HD11 HG23 ' A' ' 136' ' ' THR . 4.1 pp -85.71 164.15 17.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 65.34 110.913 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.512 ' O ' HD12 ' A' ' 131' ' ' LEU . 19.6 m -61.8 140.19 58.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.881 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.778 HD12 ' CG ' ' B' ' 553' ' ' TYR . 5.2 tt -60.14 -20.27 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.04 111.108 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -68.19 -35.62 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.929 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.707 ' HB2' HD13 ' A' ' 131' ' ' LEU . 7.3 mm100 -73.45 -40.36 64.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 63.55 110.903 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.135 HG23 HD11 ' A' ' 131' ' ' LEU . 1.6 p -57.7 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 52.25 111.177 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.639 HD21 ' CD2' ' A' ' 98' ' ' PHE . 12.8 tp -67.42 -52.14 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 73.04 110.904 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.89 -53.88 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 44.04 111.058 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.92 -45.95 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 73.32 111.087 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.464 ' CD2' HD11 ' A' ' 115' ' ' LEU . 4.3 t-80 -61.32 -63.45 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 71.12 110.814 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.79 -36.81 49.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 65.25 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -73.13 -30.8 63.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.917 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 118' ' ' GLU . 1.3 tm? -66.48 -48.04 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 62.04 110.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.21 33.99 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 54.3 110.893 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.107 179.875 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 52.52 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.68 -31.66 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.54 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -49.63 -53.19 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.25 110.846 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.93 -29.76 17.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 71.42 110.955 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 547' ' ' GLN . . . . . 0.403 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.4 tt0 -50.49 -47.64 57.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.9 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.699 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.6 ptmt -49.39 -51.1 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 74.23 110.938 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -59.36 -61.55 2.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 72.04 110.875 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.661 HG12 HD23 ' B' ' 554' ' ' LEU . 60.6 t -51.86 -56.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 70.33 111.201 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -43.19 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 75.53 110.891 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.803 HG12 HD23 ' A' ' 123' ' ' LEU . 71.2 t -67.09 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.079 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.778 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -61.72 -45.45 93.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 65.22 110.945 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.661 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -77.26 -27.83 53.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.874 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -75.92 -32.69 59.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.888 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -32.28 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.04 110.902 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.27 -75.62 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 73.35 112.487 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.12 -75.03 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 71.33 110.938 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.55 -174.81 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.906 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -59.97 158.08 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 50.04 111.081 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 561' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' B' ' 554' ' ' LEU . 14.1 pt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 73.03 111.104 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.841 0.353 . . . . 44.32 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.12 -29.6 24.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.938 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -51.76 -26.68 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 70.52 110.909 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.81 -31.31 6.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.95 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.32 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 72.22 110.868 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -54.25 -44.06 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.884 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.8 HG21 ' CE2' ' B' ' 553' ' ' TYR . 61.1 p -58.15 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 53.31 111.139 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.627 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.1 tptm -53.76 -43.38 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.858 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 96' ' ' LEU . 9.4 tt0 -60.87 -44.86 96.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.898 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.14 79.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 52.42 110.922 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.06 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.43 111.128 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 97' ' ' THR . 2.4 pp -54.86 -40.6 69.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.578 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -60.76 -47.72 85.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.158 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -29.61 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 70.44 110.9 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -74.49 -39.62 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 64.11 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -80.75 -43.59 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.483 . . . . 64.35 110.863 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.77 -37.8 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 74.32 110.878 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -134.98 73.05 66.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 73.3 110.844 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.7 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.642 2.228 . . . . 74.22 112.322 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.528 ' OE1' HD12 ' A' ' 115' ' ' LEU . 0.8 OUTLIER -51.34 -35.57 38.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 72.42 110.953 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -63.03 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.869 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 mmt -75.22 -23.79 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 62.3 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -84.09 -48.34 9.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 71.14 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.77 116.77 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 72.53 110.873 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.58 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 73.22 110.871 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.71 -36.22 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.664 ' OD2' HD21 ' A' ' 144' ' ' LEU . 32.1 t0 -58.04 -56.9 16.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.912 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -52.17 -42.42 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 62.45 110.837 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -57.9 -60.01 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 62.52 110.921 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -52.02 -40.38 60.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.711 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -64.59 -38.86 92.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.882 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.0 ttp -65.5 -58.87 4.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.92 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -51.89 -46.32 64.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 75.24 111.191 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.688 ' O ' HG13 ' A' ' 122' ' ' VAL . 7.4 tt0 -67.99 -41.41 82.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.596 ' O ' HD22 ' A' ' 123' ' ' LEU . 10.2 t80 -60.39 -26.14 66.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.891 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -84.76 -39.77 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 75.1 110.919 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -72.05 -31.28 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.901 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 118' ' ' GLU . 27.5 m -76.4 -13.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 71.34 111.162 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.796 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.55 -32.96 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.938 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.53 -31.59 15.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.2 tt0 -48.21 -60.13 4.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 64.13 110.887 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.4 Cg_endo -69.72 154.49 67.81 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.706 2.271 . . . . 61.24 112.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.7 -18.17 49.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 51.41 112.486 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.52 ' O ' HD23 ' A' ' 131' ' ' LEU . 74.6 m -83.17 50.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 75.43 110.862 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -56.24 -17.16 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 70.44 110.862 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -86.45 23.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 62.11 110.862 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.09 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -86.94 163.68 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 65.34 110.899 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.461 ' O ' HD12 ' A' ' 131' ' ' LEU . 5.7 m -62.48 140.68 58.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.926 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.734 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -59.26 -20.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.04 111.157 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -66.28 -37.22 84.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.734 ' HB2' HD13 ' A' ' 131' ' ' LEU . 31.6 mm-40 -73.0 -43.24 62.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 63.55 110.963 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.09 HG23 HD11 ' A' ' 131' ' ' LEU . 2.2 p -53.5 -55.74 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 52.25 111.164 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.32 -47.5 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 139' ' ' ALA . 4.5 tt -51.91 -52.33 50.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.965 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.477 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -61.69 -51.9 66.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 44.04 111.093 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.612 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.65 -40.12 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 73.32 111.113 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -65.29 -59.29 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -55.95 -35.77 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 65.25 110.838 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -68.78 -32.59 72.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.711 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.1 tp -61.85 -35.88 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 62.04 110.987 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -102.88 32.8 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 54.3 110.957 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.138 179.887 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 52.52 110.835 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.69 -31.91 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.54 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -53.13 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.832 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.5 pp -90.98 -28.66 17.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.877 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.02 -47.3 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 64.45 110.944 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.5 ptmt -49.92 -50.83 44.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.905 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.503 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.3 m95 -59.56 -61.41 2.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.913 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.627 HG21 ' HD2' ' A' ' 92' ' ' LYS . 59.6 t -52.08 -56.39 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 70.33 111.153 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -42.9 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.53 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.796 HG12 HD23 ' A' ' 123' ' ' LEU . 78.1 t -68.37 -39.7 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.21 111.085 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.8 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.36 -46.01 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 65.22 110.916 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.512 HD23 HG12 ' B' ' 550' ' ' VAL . 1.0 OUTLIER -79.17 -28.06 42.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.44 110.883 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.1 -32.91 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.858 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -32.48 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.879 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -58.85 -72.61 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.751 -0.738 . . . . 73.35 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.08 -57.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 71.33 110.963 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -171.05 179.28 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.54 155.91 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 50.04 111.078 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 73.03 111.12 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.4 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 44.32 110.948 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.87 -28.68 16.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -50.17 -28.21 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 70.52 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -49.17 -31.25 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 74.1 110.959 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -61.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 72.22 110.867 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.78 -45.85 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.903 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.782 HG21 ' CE2' ' B' ' 553' ' ' TYR . 82.4 p -59.17 -55.61 32.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 53.31 111.112 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.437 ' HG3' HD13 ' B' ' 546' ' ' LEU . 1.7 ttmt -51.59 -47.47 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 75.23 110.893 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HA ' HD21 ' A' ' 96' ' ' LEU . 33.6 tt0 -59.09 -44.75 91.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.916 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.72 -35.05 76.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 52.42 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.93 -60.89 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.085 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 97' ' ' THR . 2.5 pp -54.65 -38.16 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.883 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.584 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.5 p -64.04 -46.34 84.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -27.09 62.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.936 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.28 -35.06 36.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 64.11 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -83.66 -41.88 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.35 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.29 -37.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -135.21 72.35 66.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 73.3 110.811 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 78.16 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 74.22 112.292 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.459 HE21 HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -60.14 -35.03 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.947 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.29 -35.68 67.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.1 ttt -74.46 -23.42 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 62.3 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -73.55 -42.6 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 71.14 110.775 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.76 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.53 110.927 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -30.38 22.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.926 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.8 -39.57 43.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.842 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -51.9 -41.1 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.857 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -53.87 -61.44 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.45 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -53.25 -48.85 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 62.52 110.813 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.38 -48.21 74.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.746 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.1 tt -65.96 -36.4 83.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.35 110.875 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.6 ttp -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.897 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 5.0 t -60.22 -45.21 93.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.117 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.715 ' O ' HG13 ' A' ' 122' ' ' VAL . 22.2 mt-10 -64.22 -29.52 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 73.11 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.598 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 16.8 t80 -78.51 -30.26 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 75.54 110.888 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.443 ' HG3' HG11 ' B' ' 552' ' ' VAL . 4.2 mtpm? -81.6 -25.49 35.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.915 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.424 ' HG2' ' HA ' ' A' ' 118' ' ' GLU . 0.7 OUTLIER -84.88 -36.52 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.953 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 118' ' ' GLU . 27.2 m -70.37 -13.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 71.34 111.146 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.815 HD23 HG12 ' B' ' 552' ' ' VAL . 0.2 OUTLIER -83.5 -39.31 20.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.93 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.8 mt -93.13 -28.32 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.934 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -46.96 -60.39 3.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.72 . . . . 64.13 110.885 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.2 Cg_endo -69.65 160.17 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.721 2.28 . . . . 61.24 112.41 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.66 -22.16 37.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 51.41 112.456 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.492 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.5 m -84.49 49.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 75.43 110.773 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -14.48 7.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 70.44 110.918 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -85.03 23.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.962 HD11 HG23 ' A' ' 136' ' ' THR . 3.6 pp -88.13 160.86 17.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.907 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.61 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -56.57 165.98 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.857 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.709 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.3 tt -79.19 -19.19 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 72.04 111.165 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -67.38 -39.44 85.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.12 110.936 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.505 ' HB2' HD13 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -70.85 -44.12 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 63.55 110.91 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.962 HG23 HD11 ' A' ' 131' ' ' LEU . 1.4 p -52.31 -57.59 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 52.25 111.157 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.568 HD23 ' CE2' ' A' ' 119' ' ' PHE . 67.2 mt -63.39 -50.13 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.893 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.13 -45.02 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.829 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.36 -55.53 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 44.04 111.086 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.613 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -51.87 -42.41 62.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.077 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -63.47 -64.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.855 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.4 -30.89 42.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 65.25 110.9 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -77.22 -31.15 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.855 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 115' ' ' LEU . 57.4 tp -52.57 -35.26 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.948 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -99.61 -53.9 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 54.3 110.949 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.03 111.079 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.84 0.352 . . . . 52.52 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -48.51 -32.17 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -49.85 -53.22 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.949 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.437 HD13 ' HG3' ' A' ' 92' ' ' LYS . 4.3 pp -90.65 -27.43 19.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.904 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -47.86 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 64.45 110.951 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.711 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.0 ptmt -49.32 -52.61 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.839 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.536 ' CH2' HD22 ' A' ' 115' ' ' LEU . 73.0 m95 -58.86 -61.42 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 72.04 110.911 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.51 HG12 HD23 ' B' ' 554' ' ' LEU . 59.2 t -51.05 -56.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 70.33 111.125 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -42.65 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 75.53 110.901 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.815 HG12 HD23 ' A' ' 123' ' ' LEU . 99.5 t -67.99 -40.68 83.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.102 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.782 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 65.22 110.93 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.51 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -79.95 -27.78 39.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 74.44 110.875 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -73.18 -33.51 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.873 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.22 -31.26 19.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.875 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.97 -73.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 73.35 112.525 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.8 -63.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 71.33 110.917 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -175.19 -172.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.862 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.15 156.7 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 50.04 111.072 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 10.0 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.03 111.131 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.762 0.315 . . . . 44.32 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -85.0 -25.88 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.91 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 91' ' ' THR . 26.9 mmtt -50.94 -28.65 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 70.52 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -48.79 -32.17 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -61.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.909 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -57.02 -37.39 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.936 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.773 HG21 ' CE2' ' B' ' 553' ' ' TYR . 77.6 p -63.17 -56.69 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 53.31 111.149 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -44.55 72.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.851 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.454 ' HA ' HD21 ' A' ' 96' ' ' LEU . 24.8 tt0 -60.97 -44.54 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.894 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -62.9 -34.69 77.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 52.42 110.903 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.98 -59.5 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 72.43 111.11 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -56.07 -38.01 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.935 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.597 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -63.84 -46.66 84.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 75.23 111.187 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -25.7 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.886 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -81.57 -35.13 30.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 64.11 110.956 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -84.67 -35.51 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 64.35 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.38 -40.15 62.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -131.25 66.26 78.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 73.3 110.899 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 76.26 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.243 . . . . 74.22 112.372 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.733 ' OE1' HD12 ' A' ' 115' ' ' LEU . 9.1 pt20 -68.36 -34.3 75.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.42 110.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -54.63 -35.09 63.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.934 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.47 -23.44 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 62.3 110.909 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -46.8 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 71.14 110.847 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.89 144.68 37.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.899 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -83.82 -38.66 20.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.967 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.77 -37.63 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.925 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.14 -57.13 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 75.41 110.821 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -56.8 -50.79 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 62.45 110.9 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -52.89 -59.77 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 62.52 110.878 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.86 -41.94 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.766 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -64.91 -39.12 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.95 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.431 ' HE3' ' HE2' ' B' ' 548' ' ' LYS . 17.6 tpp -63.42 -58.98 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.923 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -53.18 -47.28 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.185 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.71 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.8 tt0 -66.09 -41.03 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.11 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.584 ' O ' HD13 ' A' ' 123' ' ' LEU . 12.0 t80 -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.498 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.4 mtpp -83.49 -31.61 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.867 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -32.99 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.869 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 118' ' ' GLU . 28.6 m -72.76 -13.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 71.34 111.075 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.842 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -83.89 -39.42 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.925 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.3 mt -91.81 -29.21 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.911 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 7.5 tt0 -46.76 -60.16 4.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 64.13 110.916 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 159.19 54.32 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.244 . . . . 61.24 112.352 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.1 -23.05 33.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 51.41 112.54 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.58 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.0 m -84.11 49.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 75.43 110.862 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -18.52 6.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.873 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -82.08 24.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 62.11 110.944 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.998 HD11 HG23 ' A' ' 136' ' ' THR . 3.7 pp -85.69 163.95 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 65.34 110.881 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.541 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.94 145.37 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.828 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.772 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -62.06 -19.92 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 72.04 111.16 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.51 -39.94 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 131' ' ' LEU . 32.7 mm-40 -71.53 -44.75 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 63.55 110.91 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.998 HG23 HD11 ' A' ' 131' ' ' LEU . 6.4 p -51.46 -59.68 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 52.25 111.195 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -48.7 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.938 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -51.08 -61.86 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 71.33 110.924 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.456 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -51.59 -53.27 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 44.04 111.085 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.86 -33.64 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.118 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -74.84 -64.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.15 -34.8 46.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.92 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -67.82 -33.61 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.869 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.766 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.9 tp -65.53 -35.29 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 62.04 110.869 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -104.38 34.47 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 54.3 110.937 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.03 111.092 179.939 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.803 0.335 . . . . 52.52 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -48.49 -31.93 7.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 73.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.85 -53.8 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.911 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.18 -29.69 17.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.94 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -46.38 53.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 64.45 110.929 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.684 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.0 ptmt -51.1 -50.07 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -60.77 -62.29 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.991 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.1 t -51.2 -53.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 70.33 111.147 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -46.52 25.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 75.53 110.896 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.842 HG12 HD23 ' A' ' 123' ' ' LEU . 91.1 t -66.72 -33.51 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.112 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.773 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.15 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 65.22 110.903 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -87.69 -19.12 28.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.876 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -81.42 -34.43 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.9 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 556' ' ' ARG . . . . . 0.41 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.04 -28.39 62.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.04 110.915 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -69.27 -76.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 73.35 112.492 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.68 -75.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 71.33 110.945 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -147.56 -174.56 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 64.14 110.89 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.94 164.67 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 50.04 111.124 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.2 pt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 73.03 111.132 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.8 0.333 . . . . 44.32 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -51.68 -29.02 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.864 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 91' ' ' THR . 21.7 mmtp -51.21 -26.79 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 70.52 110.904 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.45 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.888 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -66.08 -61.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.864 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -54.85 -41.93 71.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.935 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.81 HG21 ' CE2' ' B' ' 553' ' ' TYR . 65.9 p -59.63 -54.17 49.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 53.31 111.146 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.673 ' HD2' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -54.23 -45.59 72.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 75.23 110.886 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 97' ' ' THR . 31.0 tt0 -59.81 -45.7 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.888 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.49 -33.97 76.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 52.42 110.943 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -60.52 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 72.43 111.173 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.629 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.4 pp -55.58 -40.63 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -59.96 -52.38 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.23 111.173 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -28.28 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.915 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -72.66 -47.22 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.91 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -74.96 -42.15 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 64.35 110.903 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -68.97 -36.45 77.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.937 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -137.89 73.73 45.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 73.3 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 107.64 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 74.22 112.336 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.546 ' OE1' HD12 ' A' ' 115' ' ' LEU . 7.8 tp60 -73.84 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.924 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.92 -35.58 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.935 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.4 tpt -75.89 -23.46 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 62.3 110.889 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -89.42 -44.62 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -156.36 105.57 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 72.53 110.842 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -51.73 -36.19 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 73.22 110.83 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -70.26 -41.2 73.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 73.11 110.928 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.651 ' OD2' HD21 ' A' ' 144' ' ' LEU . 11.9 t0 -62.04 -42.13 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.47 -48.85 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 62.45 110.913 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -60.26 -56.01 26.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 62.52 110.867 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.88 -43.94 63.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 72.44 110.898 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.716 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.61 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 72.35 110.901 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -61.84 -59.45 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 75.03 110.923 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.3 t -54.68 -47.22 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.24 111.159 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.705 ' O ' HG13 ' A' ' 122' ' ' VAL . 9.8 tp10 -65.05 -35.23 80.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.872 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.864 ' O ' HD23 ' A' ' 123' ' ' LEU . 7.9 t80 -68.93 -26.57 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 75.54 110.814 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -82.95 -30.15 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.949 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -81.52 -32.01 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.946 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 118' ' ' GLU . 35.0 m -72.43 -14.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 71.34 111.109 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 119' ' ' PHE . 2.1 mm? -80.55 -40.5 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.915 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -93.12 -29.45 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -43.89 -60.49 2.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.737 0.779 . . . . 64.13 110.963 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.74 158.34 57.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.684 2.256 . . . . 61.24 112.391 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.87 -16.55 56.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 51.41 112.501 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.7 m -81.79 51.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 75.43 110.842 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -21.98 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 70.44 110.837 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -86.4 24.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 62.11 110.878 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.685 HD11 HG22 ' A' ' 136' ' ' THR . 3.9 pp -82.32 164.56 21.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 65.34 110.927 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -75.3 146.53 40.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.794 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.655 HD13 ' HB ' ' A' ' 91' ' ' THR . 0.6 OUTLIER -56.11 -34.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 72.04 111.14 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.92 -35.52 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 75.12 110.931 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.653 ' HB2' HD13 ' A' ' 131' ' ' LEU . 5.9 mm100 -76.28 -34.73 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.55 110.951 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.685 HG22 HD11 ' A' ' 131' ' ' LEU . 18.2 p -59.53 -50.22 74.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 52.25 111.144 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.5 mt -74.08 -45.06 51.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.843 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 138' ' ' LEU . 10.4 tt -58.17 -45.34 87.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.841 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.05 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 44.04 111.07 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -55.91 -35.21 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.089 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -71.55 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.12 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -55.2 -37.08 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 65.25 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -66.24 -33.45 75.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.716 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.5 tp -63.75 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 62.04 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -104.51 34.02 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 54.3 110.893 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.03 111.062 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.833 0.349 . . . . 52.52 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.22 -31.62 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.877 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -49.29 -53.08 23.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 75.25 110.935 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.15 -29.13 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.921 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -47.6 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 64.45 110.882 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -48.92 -50.51 34.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.831 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.598 ' CH2' HD22 ' A' ' 115' ' ' LEU . 63.4 m95 -60.39 -60.86 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 72.04 110.973 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.673 HG21 ' HD2' ' A' ' 92' ' ' LYS . 60.3 t -52.83 -57.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.164 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -37.97 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.39 -42.56 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.151 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.81 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.3 -41.25 88.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.97 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.7 pp -83.65 -27.63 28.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.96 -33.68 66.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.894 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 556' ' ' ARG . . . . . 0.734 ' CD ' HD12 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -84.05 -31.99 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 73.04 110.854 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.16 -70.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 73.35 112.508 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -144.76 -49.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 71.33 110.944 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -169.78 178.55 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.14 110.9 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.36 161.69 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 50.04 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 73.03 111.193 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.771 0.319 . . . . 44.32 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.82 -27.99 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 91' ' ' THR . 31.6 mmtm -50.78 -27.34 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 70.52 110.879 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.96 -31.49 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -67.85 -58.97 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.907 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.16 -39.52 72.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.871 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.772 HG21 ' CE2' ' B' ' 553' ' ' TYR . 70.0 p -63.12 -54.95 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 53.31 111.112 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.539 ' HD2' HG21 ' B' ' 550' ' ' VAL . 3.5 tptm -53.19 -48.77 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 75.23 110.955 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 97' ' ' THR . 9.5 tt0 -59.34 -44.99 92.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.862 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -61.01 -34.25 74.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 52.42 110.945 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.43 111.022 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.599 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.6 pp -54.47 -35.21 62.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.91 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.503 ' N ' HD12 ' A' ' 96' ' ' LEU . 18.2 p -67.4 -44.92 77.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 75.23 111.183 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.3 63.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.847 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -84.12 -33.8 24.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 64.11 110.779 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -82.72 -37.04 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.06 -40.04 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 74.32 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -127.86 66.05 69.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 73.3 110.821 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 75.81 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.616 2.211 . . . . 74.22 112.361 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -81.12 -30.64 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.421 ' HE1' HD13 ' A' ' 115' ' ' LEU . 7.8 m-85 -70.41 -25.86 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.899 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -23.06 59.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 62.3 110.876 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.19 -34.62 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 71.14 110.853 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -131.91 94.15 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.804 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -67.58 -41.46 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.928 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.66 -40.46 60.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.862 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 -40.55 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.844 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -51.84 -48.79 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.922 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.85 -57.32 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 62.52 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -52.78 -44.69 66.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.84 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.71 HD12 HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.57 -36.49 84.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 72.35 110.967 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.1 ttp -63.98 -59.25 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.93 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -54.34 -46.85 72.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.24 111.124 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.733 ' O ' HG13 ' A' ' 122' ' ' VAL . 29.0 mt-10 -65.06 -42.23 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.914 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 16.7 t80 -61.22 -28.96 69.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.54 110.874 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.453 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.3 mtpt -81.8 -31.81 31.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.1 110.929 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -33.83 37.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 118' ' ' GLU . 20.3 m -73.16 -14.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 71.34 111.136 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.821 HD23 HG12 ' B' ' 552' ' ' VAL . 0.2 OUTLIER -82.77 -34.41 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.919 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.33 -28.12 17.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.954 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.3 tp10 -47.81 -59.79 5.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.681 0.753 . . . . 64.13 110.928 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.78 154.28 67.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 61.24 112.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.37 -15.41 57.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 51.41 112.469 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.492 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.6 p -83.03 49.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 75.43 110.809 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -18.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.893 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -88.42 24.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 62.11 110.839 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.096 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -87.16 163.28 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 65.34 110.905 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -62.86 140.75 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.812 -179.866 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.79 HD12 ' CG ' ' B' ' 553' ' ' TYR . 8.4 tt -58.94 -20.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 72.04 111.128 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -37.5 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.12 110.94 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.721 ' HB2' HD13 ' A' ' 131' ' ' LEU . 30.9 mm-40 -71.95 -43.71 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.55 110.818 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.096 HG23 HD11 ' A' ' 131' ' ' LEU . 1.3 p -53.49 -57.14 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 52.25 111.166 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.51 -49.71 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.936 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.22 -46.61 62.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.33 110.921 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.412 ' HB1' ' HE ' ' A' ' 143' ' ' ARG . . . -63.76 -49.2 73.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 44.04 111.067 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.17 -37.66 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 73.32 111.191 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -68.67 -61.83 1.65 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.13 -0.486 . . . . 71.12 110.897 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.66 -39.9 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 65.25 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.412 ' HE ' ' HB1' ' A' ' 139' ' ' ALA . 4.0 mtt180 -64.14 -33.78 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.21 110.877 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.71 HD22 HD12 ' A' ' 115' ' ' LEU . 9.6 tp -63.92 -35.66 81.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 62.04 110.863 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -105.47 34.63 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 54.3 110.882 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.089 179.894 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 52.52 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -49.04 -31.74 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.896 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.62 -52.0 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.95 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -91.94 -29.3 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.934 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.21 -45.51 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.972 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.684 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -50.73 -51.73 47.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.849 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.531 ' CH2' HD22 ' A' ' 115' ' ' LEU . 75.2 m95 -60.46 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 72.04 110.901 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.539 HG21 ' HD2' ' A' ' 92' ' ' LYS . 59.2 t -50.44 -54.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.112 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -45.43 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.821 HG12 HD23 ' A' ' 123' ' ' LEU . 97.0 t -67.16 -35.7 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.121 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.79 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -60.67 -44.55 96.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 65.22 110.89 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.25 -25.84 29.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -74.8 -33.46 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.25 110.864 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -32.12 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.04 110.859 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -57.92 -77.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 73.35 112.507 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -132.69 -50.46 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 71.33 110.928 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -174.89 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.897 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.84 159.81 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 50.04 111.081 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.03 111.169 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.815 0.341 . . . . 44.32 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -51.76 -29.21 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.868 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 91' ' ' THR . 59.4 mmtt -51.36 -26.4 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 70.52 110.898 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.47 7.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 74.1 110.928 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -66.31 -61.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.908 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.6 -42.22 67.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.41 110.978 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.795 HG21 ' CE2' ' B' ' 553' ' ' TYR . 68.9 p -60.74 -52.54 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 53.31 111.211 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.407 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.5 tptp -53.85 -47.12 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.969 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HA ' HD21 ' A' ' 96' ' ' LEU . 3.2 tt0 -60.18 -44.44 95.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.933 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -62.82 -34.4 77.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 52.42 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -60.97 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.109 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.62 -38.65 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.92 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.604 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.5 p -63.01 -48.12 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.176 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -25.9 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.831 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -80.02 -35.24 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 64.11 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.04 -37.13 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 64.35 110.914 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -74.68 -36.56 62.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -133.23 68.09 77.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 73.3 110.794 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 73.58 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 74.22 112.34 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.51 -34.85 51.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.93 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -53.33 -31.52 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 72.42 110.908 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.0 ttm -86.78 -23.59 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 62.3 110.893 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -78.73 -44.87 22.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.87 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -156.09 114.14 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.53 110.824 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -51.76 -35.3 43.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 73.22 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.15 -40.94 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 73.11 110.87 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.29 -37.26 69.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.78 -49.17 66.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.32 -49.65 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 72.44 110.948 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.746 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.23 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.922 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 75.03 110.951 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.8 t -55.95 -45.31 78.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.24 111.124 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.719 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.8 tt0 -65.59 -42.77 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 73.11 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.68 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 18.9 t80 -61.37 -29.29 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.894 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.413 ' HG3' HG11 ' B' ' 552' ' ' VAL . 16.0 mtpt -82.0 -32.9 30.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 75.1 110.899 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -78.72 -34.41 45.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.898 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 118' ' ' GLU . 21.7 m -73.3 -16.47 17.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 71.34 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.793 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -81.14 -36.38 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.921 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.9 mt -92.07 -7.86 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.973 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -65.49 -60.54 7.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 64.13 110.903 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.71 158.8 55.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 61.24 112.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.29 -19.87 44.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 51.41 112.485 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.3 m -82.9 50.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 75.43 110.858 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -51.93 -20.89 2.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 70.44 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -85.36 24.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.929 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.141 HD11 HG23 ' A' ' 136' ' ' THR . 4.0 pp -84.69 164.02 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 65.34 110.937 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.493 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -62.02 140.64 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.84 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.798 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.5 tt -59.59 -20.53 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 72.04 111.111 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -66.45 -38.08 86.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.937 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.736 ' HB2' HD13 ' A' ' 131' ' ' LEU . 8.0 mm100 -71.04 -44.46 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 63.55 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.141 HG23 HD11 ' A' ' 131' ' ' LEU . 1.8 p -53.46 -58.33 7.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 52.25 111.141 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.427 HD23 ' CE2' ' A' ' 119' ' ' PHE . 48.4 mt -62.68 -49.36 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.896 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.42 -47.37 63.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.67 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 44.04 111.087 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -54.95 -40.2 69.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 73.32 111.109 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -64.38 -63.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.867 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.13 -38.42 65.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.436 . . . . 65.25 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -64.44 -33.74 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.2 tp -64.82 -35.09 79.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.944 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.61 HE21 HD23 ' A' ' 144' ' ' LEU . 9.5 mp0 -104.62 34.17 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 54.3 110.932 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.099 179.85 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 52.52 110.836 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -48.46 -32.04 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.54 110.878 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -52.45 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -91.9 -30.65 16.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.895 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 547' ' ' GLN . . . . . 0.474 ' N ' HD12 ' B' ' 546' ' ' LEU . 0.5 OUTLIER -51.8 -46.25 64.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 64.45 110.936 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.702 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.1 ptmt -49.81 -51.38 40.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.868 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -59.53 -61.74 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.407 HG21 ' HD2' ' A' ' 92' ' ' LYS . 57.5 t -51.39 -55.75 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 70.33 111.108 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.06 -43.3 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.793 HG12 HD23 ' A' ' 123' ' ' LEU . 85.5 t -67.91 -38.17 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 73.21 111.129 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.798 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -59.25 -45.74 90.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 65.22 110.943 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -81.28 -27.03 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.66 -32.96 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.906 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.39 -32.12 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 73.04 110.874 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.42 -76.91 0.2 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 73.35 112.496 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -65.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 71.33 110.833 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -162.2 -176.38 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 64.14 110.87 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -69.21 154.98 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 50.04 111.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.3 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.08 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 44.32 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -51.55 -29.44 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 72.23 110.909 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.33 -26.27 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 70.52 110.91 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -48.43 -32.24 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 74.1 110.922 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -68.27 -55.75 11.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -55.39 -46.33 76.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.807 ' HB ' HD13 ' A' ' 133' ' ' ILE . 48.9 p -60.34 -51.44 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 53.31 111.179 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HD3' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -52.48 -50.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.933 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -58.76 -44.44 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.895 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.61 -34.68 77.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 52.42 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.72 -60.82 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.43 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 97' ' ' THR . 2.4 pp -54.84 -39.84 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.41 110.881 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.598 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.4 p -61.47 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.173 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -26.9 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.841 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -76.36 -42.79 43.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 64.11 110.849 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.0 -43.04 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 64.35 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -69.04 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -138.01 73.97 44.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.528 0.68 . . . . 73.3 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.03 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 74.22 112.364 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.526 ' OE1' HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -60.78 -36.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.42 110.937 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -67.87 -36.0 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.933 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 30.8 tpp -74.62 -23.71 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 62.3 110.939 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -86.94 -48.19 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.902 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -156.25 139.12 15.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 72.53 110.803 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -71.75 -36.56 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 73.22 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.22 -39.88 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.462 ' OD2' HD21 ' A' ' 144' ' ' LEU . 9.5 t70 -54.66 -52.63 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.845 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.31 -51.27 62.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 62.45 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -57.47 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 62.52 110.901 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -52.1 -42.5 63.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.917 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.727 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.85 -38.03 89.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.869 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -64.46 -58.93 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.6 t -53.59 -46.19 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 75.24 111.151 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.729 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.7 mm-40 -66.52 -42.19 87.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.656 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 19.3 t80 -60.26 -29.27 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.889 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.429 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.6 mtpt -82.71 -33.59 27.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.1 110.873 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.77 -33.33 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 75.21 110.928 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 118' ' ' GLU . 19.8 m -74.72 -16.43 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.34 111.075 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.789 HD23 HG12 ' B' ' 552' ' ' VAL . 0.4 OUTLIER -81.21 -35.52 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.902 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.39 -7.74 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -66.01 -60.75 6.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 64.13 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.74 158.65 56.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.737 2.291 . . . . 61.24 112.332 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.21 -19.54 45.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 51.41 112.468 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.544 ' O ' HD23 ' A' ' 131' ' ' LEU . 15.0 m -83.14 50.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 75.43 110.828 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -51.64 -20.98 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 70.44 110.898 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -85.78 24.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 62.11 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.08 HD11 HG23 ' A' ' 136' ' ' THR . 4.0 pp -84.75 163.88 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.952 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -63.27 141.0 58.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.904 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.807 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.4 tt -58.87 -20.91 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 72.04 111.175 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -64.54 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.948 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.76 ' HB2' HD13 ' A' ' 131' ' ' LEU . 33.0 mm-40 -72.15 -45.98 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 63.55 110.939 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.08 HG23 HD11 ' A' ' 131' ' ' LEU . 3.0 p -51.64 -56.34 14.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 52.25 111.131 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.42 HD23 ' CE2' ' A' ' 119' ' ' PHE . 64.9 mt -65.42 -45.99 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 73.04 110.887 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 139' ' ' ALA . 3.0 tt -51.76 -53.31 41.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 71.33 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.467 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -62.55 -48.09 81.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 44.04 111.139 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.69 -34.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.078 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -72.48 -61.37 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -55.67 -33.95 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 65.25 110.882 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -68.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.834 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.727 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.1 tp -64.42 -35.47 81.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 62.04 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.37 34.07 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 54.3 110.971 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.086 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.839 0.352 . . . . 52.52 110.911 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -44.86 -32.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -47.79 -56.4 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.966 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.565 HD12 ' N ' ' B' ' 547' ' ' GLN . 4.4 pp -92.27 -32.93 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.914 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 547' ' ' GLN . . . . . 0.565 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.4 tt0 -50.4 -46.48 56.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.45 110.898 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.704 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.7 ptmt -49.38 -51.42 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.547 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.1 m95 -59.0 -60.23 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.896 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.536 HG12 HD23 ' B' ' 554' ' ' LEU . 58.2 t -51.93 -55.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 70.33 111.117 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -46.25 -41.45 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.789 HG12 HD23 ' A' ' 123' ' ' LEU . 89.4 t -68.89 -39.09 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.21 111.116 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.793 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -60.91 -45.54 94.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.998 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.536 HD23 HG12 ' B' ' 550' ' ' VAL . 0.8 OUTLIER -78.83 -27.69 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 74.44 110.948 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.63 -32.93 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.887 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.84 -32.39 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.885 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.18 -74.66 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 73.35 112.497 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -136.97 -49.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 71.33 110.949 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.49 174.23 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.889 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.1 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 50.04 111.122 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 73.03 111.091 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.815 0.34 . . . . 44.32 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -53.59 -27.43 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.595 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -50.53 -27.83 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 70.52 110.874 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.95 -31.48 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.964 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.38 -61.58 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.939 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.72 -38.11 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.764 HG21 ' CE2' ' B' ' 553' ' ' TYR . 63.5 p -62.39 -55.82 24.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 53.31 111.147 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.0 tptm -55.12 -43.13 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.912 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HA ' HD21 ' A' ' 96' ' ' LEU . 40.3 tt0 -61.43 -45.29 94.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.41 110.872 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.97 -34.64 77.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 52.42 110.88 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.9 -60.68 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 72.43 111.09 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.76 -38.86 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 71.41 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.593 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.4 p -62.84 -48.02 80.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 75.23 111.136 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.699 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -70.92 -26.9 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 70.44 110.918 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -79.11 -37.65 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 64.11 110.894 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -81.92 -36.71 27.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 64.35 110.922 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.96 -39.44 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -132.13 67.63 79.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 73.3 110.878 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.41 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.736 2.291 . . . . 74.22 112.377 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -36.84 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.42 110.965 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.99 -33.39 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.902 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.2 mtt -74.61 -23.61 58.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 62.3 110.866 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -87.25 -46.46 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 71.14 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.81 117.66 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.883 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -55.67 -36.63 67.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.03 -58.75 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -52.05 -46.86 65.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 62.45 110.907 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.56 -59.2 4.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.927 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -51.78 -43.71 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 72.44 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.775 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -64.08 -38.17 90.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.35 110.9 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.22 -59.93 4.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.03 110.894 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.1 t -52.78 -47.09 67.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.191 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.718 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.6 tm-20 -65.92 -41.15 91.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.852 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.566 ' O ' HD13 ' A' ' 123' ' ' LEU . 8.0 t80 -62.39 -24.9 67.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.462 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.2 mtpp -84.45 -35.53 22.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.96 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -77.17 -31.14 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.964 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 118' ' ' GLU . 25.3 m -74.8 -13.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 71.34 111.122 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.84 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.68 -35.08 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 74.02 110.929 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.31 -29.72 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.977 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.6 tt0 -47.99 -60.21 4.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.668 0.747 . . . . 64.13 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.9 Cg_endo -69.73 154.62 67.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 61.24 112.389 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.67 -15.69 56.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 51.41 112.518 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.495 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.9 m -82.23 49.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 75.43 110.844 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.89 -19.83 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.902 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -86.58 24.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 62.11 110.865 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.08 HD11 HG23 ' A' ' 136' ' ' THR . 4.4 pp -87.33 161.3 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 65.34 110.928 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.417 ' O ' HD12 ' A' ' 131' ' ' LEU . 1.8 m -62.37 140.39 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.877 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.762 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.5 tt -58.23 -20.81 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 72.04 111.154 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.43 -36.21 82.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.12 110.924 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.72 ' HB2' HD13 ' A' ' 131' ' ' LEU . 30.7 mm-40 -73.45 -43.34 60.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.905 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.08 HG23 HD11 ' A' ' 131' ' ' LEU . 1.4 p -53.29 -55.44 24.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 52.25 111.167 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 98' ' ' PHE . 4.8 tp -66.78 -48.8 67.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.929 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.88 -50.33 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.31 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 44.04 111.067 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.567 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.49 -42.01 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.113 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -66.43 -62.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 71.12 110.917 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.19 -35.13 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 65.25 110.864 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.5 mtt-85 -69.2 -32.96 72.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.775 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.8 tp -62.7 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.934 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -104.78 33.73 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 54.3 110.905 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.146 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.788 0.328 . . . . 52.52 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -48.79 -31.93 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.832 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -52.89 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.923 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.5 pp -91.14 -29.1 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.932 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -46.19 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.886 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.9 ptmt -51.2 -50.66 58.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.859 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -60.01 -62.22 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.889 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.577 HG21 ' HD2' ' A' ' 92' ' ' LYS . 52.9 t -51.36 -54.0 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.178 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -43.84 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.9 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.84 HG12 HD23 ' A' ' 123' ' ' LEU . 96.0 t -68.62 -35.67 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 73.21 111.131 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.764 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.61 -43.99 93.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 65.22 110.874 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -85.27 -26.67 26.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.864 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -73.48 -33.46 64.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.865 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -31.74 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.883 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.91 -80.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 73.35 112.51 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -131.43 -50.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 71.33 110.921 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.83 -169.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -63.91 163.73 11.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 50.04 111.102 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.133 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.828 0.347 . . . . 44.32 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -85.19 -30.16 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.869 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -25.47 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 70.52 110.904 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.23 -32.32 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -67.91 -55.17 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.939 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -54.18 -44.37 71.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.913 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.808 HG21 ' CE2' ' B' ' 553' ' ' TYR . 32.2 p -62.77 -49.86 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 53.31 111.138 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.668 ' HG3' HD11 ' B' ' 546' ' ' LEU . 1.7 tptm -52.98 -49.94 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.895 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 96' ' ' LEU . 83.8 tt0 -61.45 -45.16 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.901 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.42 -34.54 76.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 52.42 110.884 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.59 ' HB3' HD12 ' B' ' 546' ' ' LEU . . . -68.09 -60.48 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.195 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' B' ' 546' ' ' LEU . 2.9 pp -54.99 -38.07 67.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.927 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.597 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -64.0 -46.87 82.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.148 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -26.13 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.848 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -80.82 -35.0 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.892 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -84.56 -36.86 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.919 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -74.45 -38.56 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -132.72 67.3 78.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 73.3 110.848 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 74.22 112.331 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.09 -40.82 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -56.06 -34.17 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.915 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 tpt -74.49 -23.53 58.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 62.3 110.949 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -87.5 -40.13 14.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -156.2 103.98 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.823 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -51.26 -39.49 56.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 73.22 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.66 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 73.11 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.79 -46.3 91.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -52.28 -47.97 65.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 62.45 110.85 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.13 -59.67 4.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 62.52 110.891 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -52.39 -41.6 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.947 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.754 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.83 -39.36 93.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.35 110.872 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.51 -58.87 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.905 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.5 t -53.56 -46.75 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 75.24 111.141 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.71 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.5 tp10 -65.99 -41.89 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.576 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.1 t80 -62.12 -27.79 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.864 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.517 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.6 mtpp -83.13 -31.51 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.1 110.906 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -80.8 -33.64 34.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 75.21 110.861 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 118' ' ' GLU . 26.8 m -72.07 -14.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 71.34 111.178 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.85 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -82.81 -41.81 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.892 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.6 tp -93.14 -8.44 42.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.846 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.5 tp10 -64.78 -60.71 7.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 64.13 110.864 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.75 164.99 32.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 61.24 112.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -21.01 39.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.68 -0.772 . . . . 51.41 112.41 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.511 ' O ' HD23 ' A' ' 131' ' ' LEU . 64.0 m -83.48 49.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 75.43 110.852 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -21.95 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 70.44 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.17 24.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 62.11 110.819 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.072 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -82.14 163.75 21.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.9 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.483 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.62 141.67 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.861 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.715 HD13 ' HB ' ' A' ' 91' ' ' THR . 2.0 tt -59.6 -20.24 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 72.04 111.119 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -65.68 -36.99 85.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 131' ' ' LEU . 29.8 mm-40 -73.94 -43.18 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.935 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.072 HG23 HD11 ' A' ' 131' ' ' LEU . 3.4 p -53.2 -52.12 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 52.25 111.109 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 119' ' ' PHE . 61.0 mt -69.28 -50.01 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.04 110.935 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.65 -51.91 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 71.33 110.99 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.09 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 44.04 111.087 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -54.0 -35.0 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.089 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -71.73 -62.76 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 71.12 110.804 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.83 -36.39 62.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 65.25 110.899 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -65.25 -34.09 77.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.754 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.6 tp -64.54 -36.38 84.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 62.04 110.922 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.42 33.29 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 54.3 110.944 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.074 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 543' ' ' ASP . . . . . 0.696 ' O ' HD23 ' B' ' 546' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.895 0.378 . . . . 52.52 110.919 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -45.53 -30.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.853 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -48.36 -57.32 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.25 110.956 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.696 HD23 ' O ' ' B' ' 543' ' ' ASP . 1.4 pt? -91.72 -30.09 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.864 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.38 -46.56 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 64.45 110.928 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.687 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.0 ptmt -49.89 -51.26 41.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 74.23 110.875 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.595 ' CH2' HD22 ' A' ' 115' ' ' LEU . 68.9 m95 -59.42 -60.43 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 72.04 110.87 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 77.1 t -51.38 -53.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 70.33 111.14 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -41.77 29.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.53 110.871 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.85 HG12 HD23 ' A' ' 123' ' ' LEU . 87.2 t -70.33 -33.66 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.21 111.122 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.808 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -63.92 -40.76 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 65.22 110.937 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.82 -26.36 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.901 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.8 -34.4 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.9 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 556' ' ' ARG . . . . . 0.663 ' NH1' HG21 ' A' ' 136' ' ' THR . 0.0 OUTLIER -70.99 -29.01 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.895 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -62.09 -80.08 0.12 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.747 . . . . 73.35 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.66 -76.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 71.33 110.923 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -95.43 -166.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 64.14 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -126.58 163.77 22.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 50.04 111.086 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.6 pt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.157 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.754 0.311 . . . . 44.32 110.854 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.893 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -51.57 -25.81 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 70.52 110.963 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -47.71 -32.54 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 74.1 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -59.59 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 72.22 110.867 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -55.91 -47.67 77.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.881 HG22 HG21 ' A' ' 133' ' ' ILE . 80.8 p -58.28 -54.65 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 53.31 111.155 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.14 63.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.88 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' HA ' HD21 ' A' ' 96' ' ' LEU . 42.4 tt0 -61.12 -44.9 96.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 74.41 110.884 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.14 -34.78 77.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 52.42 110.817 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 72.43 111.169 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.93 -38.37 67.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.913 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -63.31 -47.32 82.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 75.23 111.182 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.78 -26.49 62.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 70.44 110.855 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -79.89 -35.63 37.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 64.11 110.831 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -84.38 -36.5 22.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.35 110.901 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -74.15 -39.86 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -132.08 67.18 78.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.612 0.72 . . . . 73.3 110.874 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.74 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.697 2.265 . . . . 74.22 112.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.1 -28.18 69.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.42 110.94 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -71.28 -28.04 63.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 16.1 mtp -74.1 -23.48 59.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.911 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.36 -35.84 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 71.14 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.7 m -150.13 126.77 10.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.865 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -77.45 -36.96 52.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.875 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.41 -39.61 85.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 73.11 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.574 ' OD2' HD21 ' A' ' 144' ' ' LEU . 4.2 t70 -57.04 -48.78 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.904 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -54.71 -40.8 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 62.45 110.897 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.25 -59.91 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 62.52 110.859 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -52.58 -41.05 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.871 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 72.35 110.914 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -65.07 -58.56 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 75.03 110.911 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -53.12 -46.51 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 75.24 111.143 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.9 tt0 -67.2 -39.81 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.915 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.599 ' O ' HD22 ' A' ' 123' ' ' LEU . 16.3 t80 -62.71 -28.16 69.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 75.54 110.77 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.436 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.7 mtpt -83.75 -33.83 24.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 75.1 110.914 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.95 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 118' ' ' GLU . 32.6 m -74.17 -14.4 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 71.34 111.128 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.823 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.42 -37.46 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.942 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.37 -29.28 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.959 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.2 tp10 -47.29 -59.93 4.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 64.13 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.73 156.38 63.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 61.24 112.385 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.36 -20.15 42.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 51.41 112.475 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.462 ' O ' HD23 ' A' ' 131' ' ' LEU . 65.4 m -85.51 47.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 75.43 110.82 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -15.37 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 70.44 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -73.62 -3.86 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.841 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.006 HD11 HG23 ' A' ' 136' ' ' THR . 3.7 pp -64.17 159.44 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.926 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.64 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -59.47 168.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.914 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.881 HG21 HG22 ' A' ' 91' ' ' THR . 7.4 tt -79.18 -20.07 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 72.04 111.126 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -66.95 -38.88 86.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.457 ' HB2' HD13 ' A' ' 131' ' ' LEU . 1.3 mt-30 -71.13 -39.47 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 63.55 110.881 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.006 HG23 HD11 ' A' ' 131' ' ' LEU . 1.2 p -59.94 -58.36 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 52.25 111.145 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -61.77 -44.66 96.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.945 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 138' ' ' LEU . 8.2 tt -58.42 -51.78 68.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.947 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.27 -53.43 57.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 44.04 111.04 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -51.93 -52.13 52.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.104 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -53.22 -59.32 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 71.12 110.87 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -55.62 -36.52 67.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 65.25 110.869 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -66.77 -33.46 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 72.21 110.825 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.72 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.1 tp -64.8 -36.33 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 62.04 110.949 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.431 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -104.59 34.75 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 54.3 110.965 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 73.03 111.082 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.765 0.317 . . . . 52.52 110.811 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -48.98 -32.05 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.889 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -49.58 -52.63 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -91.07 -29.09 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 71.42 110.948 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -47.5 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.973 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.718 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.4 ptmt -49.25 -52.0 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.86 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.557 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.9 m95 -59.28 -61.43 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.04 110.93 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.555 HG12 HD23 ' B' ' 554' ' ' LEU . 59.0 t -51.56 -56.45 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 70.33 111.164 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -44.97 -43.49 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.823 HG12 HD23 ' A' ' 123' ' ' LEU . 94.4 t -67.38 -40.26 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 73.21 111.169 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.805 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 65.22 110.912 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.555 HD23 HG12 ' B' ' 550' ' ' VAL . 1.1 pp -78.78 -27.82 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.861 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.06 -33.34 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.895 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -31.02 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.908 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -68.43 -37.03 85.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 73.35 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.03 -75.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 71.33 110.823 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.1 -174.28 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.81 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.54 154.15 42.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 50.04 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 561' ' ' ILE . . . . . 0.427 HG12 HD13 ' B' ' 554' ' ' LEU . 14.8 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.112 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.735 0.302 . . . . 44.32 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.12 -28.62 18.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -27.24 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 70.52 110.903 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.75 -31.51 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 74.1 110.92 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -67.87 -58.57 4.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.886 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.918 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.901 HG22 HG21 ' A' ' 133' ' ' ILE . 71.9 p -58.14 -53.58 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 53.31 111.086 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.466 ' HE2' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -51.35 -49.39 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 75.23 110.901 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -58.21 -48.3 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.884 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.02 -35.42 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 52.42 110.923 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.83 -60.66 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.096 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 97' ' ' THR . 2.7 pp -56.1 -37.34 69.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.9 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.607 ' N ' HD12 ' A' ' 96' ' ' LEU . 20.2 p -63.53 -48.15 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.114 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -27.38 62.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 70.44 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -78.25 -36.28 47.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 64.11 110.897 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -83.46 -40.26 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 64.35 110.885 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -71.42 -37.72 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.807 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -134.29 71.0 72.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.56 0.695 . . . . 73.3 110.879 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 83.79 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 74.22 112.367 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.48 83.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.96 -32.47 70.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.937 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.8 mtt -74.71 -23.51 58.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 62.3 110.881 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -88.42 -45.62 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.09 117.44 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.869 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -51.75 -35.68 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.9 -41.56 78.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.11 110.864 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -52.69 -59.02 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 75.41 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.88 -48.9 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 62.45 110.937 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.96 -59.72 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 62.52 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -51.78 -42.12 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.783 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -63.58 -39.41 94.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.974 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.2 ttt -64.04 -60.73 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -50.77 -46.93 59.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.138 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.695 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.2 tp10 -67.05 -39.37 86.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.848 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.609 ' O ' HD13 ' A' ' 123' ' ' LEU . 9.7 t80 -62.06 -28.31 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.864 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -84.05 -34.32 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 75.1 110.927 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -76.72 -32.87 58.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 75.21 110.905 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.7 m -74.78 -14.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 71.34 111.122 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.783 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -84.52 -37.64 21.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 74.02 110.909 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 53.7 mt -92.21 -29.6 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.933 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.3 tp10 -47.23 -60.3 4.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 64.13 110.879 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 158.31 57.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 61.24 112.379 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.54 -21.7 36.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 51.41 112.428 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -86.27 48.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 75.43 110.904 -179.768 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -57.83 -16.38 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 70.44 110.857 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -74.26 -1.23 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.923 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 136' ' ' THR . 3.8 pp -63.77 163.82 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 65.34 110.952 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.511 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -67.69 152.36 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.869 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.901 HG21 HG22 ' A' ' 91' ' ' THR . 3.1 tt -64.79 -20.11 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 72.04 111.107 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.932 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.563 ' HB2' HD13 ' A' ' 131' ' ' LEU . 2.1 mt-30 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 63.55 110.924 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.718 ' HB ' HD11 ' A' ' 123' ' ' LEU . 28.2 p -51.0 -52.46 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 52.25 111.116 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -38.53 63.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.04 111.006 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 138' ' ' LEU . 0.3 OUTLIER -56.77 -46.7 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 71.33 110.903 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.82 -48.48 37.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 44.04 111.04 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.19 -38.07 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 73.32 111.078 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -72.82 -57.27 4.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.841 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HG3' HD12 ' A' ' 138' ' ' LEU . 14.8 mm-40 -56.0 -34.45 65.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 65.25 110.906 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -69.98 -32.7 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.21 110.888 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.783 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.0 tp -63.21 -34.75 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 62.04 110.924 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.52 33.5 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 54.3 110.911 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.103 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 52.52 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.81 -31.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 73.54 110.864 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -47.61 -57.47 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.857 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 547' ' ' GLN . 4.6 pp -92.0 -32.58 15.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 71.42 110.948 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 547' ' ' GLN . . . . . 0.56 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.0 OUTLIER -49.0 -46.16 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.928 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 548' ' ' LYS . . . . . 0.658 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.8 ptmt -50.68 -49.89 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 74.23 110.904 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 549' ' ' TRP . . . . . 0.453 ' CH2' HD22 ' A' ' 115' ' ' LEU . 67.2 m95 -59.27 -59.56 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 72.04 110.943 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.466 HG21 ' HE2' ' A' ' 92' ' ' LYS . 43.3 t -53.45 -55.23 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 70.33 111.1 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -46.27 -42.28 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.839 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 552' ' ' VAL . . . . . 0.783 HG12 HD23 ' A' ' 123' ' ' LEU . 97.6 t -71.17 -36.85 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.155 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 553' ' ' TYR . . . . . 0.776 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.22 -45.06 92.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 65.22 110.979 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 560' ' ' ALA . 0.6 OUTLIER -81.58 -28.4 33.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.968 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.61 -32.81 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.918 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.894 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.76 -74.45 0.32 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.749 . . . . 73.35 112.472 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -136.74 -48.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.731 0.3 . . . . 71.33 110.91 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -174.71 176.83 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 64.14 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 560' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' B' ' 554' ' ' LEU . . . -66.2 160.33 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 50.04 111.095 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.03 111.135 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.883 0.373 . . . . 74.2 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -53.71 151.27 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.895 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 53.91 49.51 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.844 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -93.88 167.06 11.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 45.25 110.819 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.92 137.01 29.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 73.54 111.176 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.6 p -116.04 -49.36 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 65.05 110.829 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.54 166.44 2.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 70.1 110.948 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -129.62 -45.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 52.35 110.872 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -172.62 150.82 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 34.1 110.88 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.27 38.25 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 71.44 111.11 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.7 mt -106.89 77.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.121 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 t -96.2 81.43 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 61.02 110.871 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.4 t -111.36 -36.74 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.867 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m -96.99 136.69 37.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.52 110.823 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.4 tt -72.89 -34.66 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 74.14 111.073 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -52.43 -35.66 52.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 63.45 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.9 m -64.87 -47.56 77.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 44.32 110.925 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -52.09 -28.5 17.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -50.31 -27.8 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.98 -31.35 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.887 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.22 -61.27 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.883 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -56.49 -45.77 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.41 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.781 HG21 ' CE2' ' B' ' 553' ' ' TYR . 58.0 p -58.74 -55.48 34.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 53.31 111.118 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' HG3' HD13 ' B' ' 546' ' ' LEU . 10.4 ttmt -53.01 -43.67 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.915 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 96' ' ' LEU . 53.2 tt0 -61.11 -45.38 94.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.899 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -62.36 -34.69 77.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 52.42 110.908 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.66 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.124 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.88 -38.57 67.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.923 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.591 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.0 p -63.11 -47.52 82.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 75.23 111.147 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -26.99 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.86 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -79.45 -35.65 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.72 -39.03 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 64.35 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.15 -38.81 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.856 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -133.6 69.61 76.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 73.3 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 73.27 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.743 2.295 . . . . 74.22 112.393 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.54 ' OE1' HD12 ' A' ' 115' ' ' LEU . 6.1 tt0 -53.29 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 72.42 110.873 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -54.68 -34.24 62.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 72.42 110.945 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.4 tpt -78.84 -23.67 44.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 62.3 110.876 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -80.62 -47.9 13.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 71.14 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.54 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.874 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -30.06 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 73.22 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.21 -37.74 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 73.11 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.69 -59.1 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.83 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -51.86 -40.09 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 62.45 110.902 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -60.14 -59.94 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 62.52 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -52.39 -40.68 62.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.743 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -64.52 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.967 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.3 ttt -64.63 -58.89 5.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.921 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -52.45 -46.78 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 75.24 111.132 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.689 ' O ' HG13 ' A' ' 122' ' ' VAL . 36.2 mt-10 -67.43 -38.89 85.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.861 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.616 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 21.2 t80 -61.73 -29.76 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 75.54 110.861 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HG3' HG11 ' B' ' 552' ' ' VAL . 23.1 mtpt -83.14 -34.95 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 75.1 110.977 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -75.5 -33.83 60.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 75.21 110.972 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.1 m -74.91 -14.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 71.34 111.141 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.796 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.06 -33.08 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.896 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.38 -30.82 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.907 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -48.5 -60.24 4.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 64.13 110.855 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.3 Cg_endo -69.76 154.02 68.24 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.686 2.257 . . . . 61.24 112.336 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.62 -18.45 48.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 51.41 112.506 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 131' ' ' LEU . 18.8 m -82.67 50.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 75.43 110.811 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -54.95 -17.95 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 70.44 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -85.81 24.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 62.11 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.096 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -86.74 163.96 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 65.34 110.931 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.505 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -62.28 140.37 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.858 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.76 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.9 tt -59.56 -20.16 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 72.04 111.14 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.93 -37.02 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.899 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.737 ' HB2' HD13 ' A' ' 131' ' ' LEU . 7.2 mm100 -72.96 -42.92 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 63.55 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.096 HG23 HD11 ' A' ' 131' ' ' LEU . 2.1 p -53.67 -55.66 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 52.25 111.067 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -46.34 74.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -53.11 47.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.896 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.1 94.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 44.04 111.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.596 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -60.19 -32.95 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.143 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -74.33 -62.71 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 71.12 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -35.11 48.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -68.45 -33.26 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.84 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.743 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.6 tp -63.11 -35.52 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 62.04 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.89 33.69 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 54.3 110.898 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -93.22 142.59 27.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.016 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.04 110.93 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.708 0.289 . . . . 52.22 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.37 179.45 5.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 50.3 110.891 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.04 156.61 54.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 74.23 110.832 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -48.33 0.74 Allowed 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.792 2.328 . . . . 74.43 112.359 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.4 pp -172.11 178.63 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.902 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.411 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -112.48 97.27 39.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.568 0.699 . . . . 73.11 111.153 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 524' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 54.2 Cg_endo -69.73 150.98 69.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.728 2.286 . . . . 71.15 112.322 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.4 159.29 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.826 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -177.64 164.78 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.21 111.146 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 4.3 p -52.61 154.47 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.31 110.851 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -155.3 113.88 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 70.03 110.925 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 2.3 m 49.8 32.64 5.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.864 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 8.9 p -88.84 139.9 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 75.24 111.164 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -123.26 165.0 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.851 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -153.71 146.14 24.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 72.53 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.4 pt -121.08 123.2 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 70.53 111.115 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.9 pp -78.68 134.14 37.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.31 110.938 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -135.57 81.19 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 72.41 110.878 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -107.93 81.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 62.32 110.892 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 40.9 p -168.06 160.67 12.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.01 110.868 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 99.71 107.28 2.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.667 -0.777 . . . . 44.23 112.504 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -153.45 162.79 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 63.32 111.076 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -122.18 175.36 6.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 74.22 110.947 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 17.0 t -179.44 157.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 54.44 110.81 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 86.41 -74.42 2.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 64.24 112.481 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.69 -31.4 17.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.866 0.365 . . . . 52.52 110.86 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.87 -31.79 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.904 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -49.79 -53.26 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.97 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -90.66 -28.93 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.927 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -47.75 57.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.872 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.68 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.55 -50.56 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.952 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.54 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.5 m95 -59.55 -61.07 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.987 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.649 HG12 HD23 ' B' ' 554' ' ' LEU . 60.8 t -52.3 -56.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.119 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -42.73 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.918 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.796 HG12 HD23 ' A' ' 123' ' ' LEU . 70.1 t -67.98 -40.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 73.21 111.105 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.781 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.44 -45.72 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.924 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.649 HD23 HG12 ' B' ' 550' ' ' VAL . 1.1 pp -77.34 -27.13 52.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.897 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.848 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -32.71 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.862 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.73 -69.21 1.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 73.35 112.489 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.83 -49.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.723 0.297 . . . . 71.33 110.853 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -174.35 164.4 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 64.14 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.8 162.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 50.04 111.063 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.2 pt -151.95 133.88 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.147 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.93 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.4 ttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.813 0.34 . . . . 74.2 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.17 162.62 19.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.928 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -116.1 -179.51 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 71.13 110.866 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.3 t -134.89 -69.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 45.25 110.888 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.7 55.77 1.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 73.54 111.12 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -80.33 -174.55 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 65.05 110.865 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 tptm -139.27 160.99 38.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 70.1 110.889 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -133.71 -179.14 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 52.35 110.89 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.6 m -160.83 -178.21 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 34.1 110.829 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.12 124.55 40.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 71.44 111.088 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.1 mt -130.9 -39.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.181 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 p -52.08 160.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 61.02 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -132.18 -171.51 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.898 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 t -80.88 67.85 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.881 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.1 mm -90.81 -29.99 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.14 111.083 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -50.68 -32.75 20.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 63.45 110.851 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 p -52.45 -28.22 19.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 44.32 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -85.13 -30.57 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.913 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -51.71 -26.47 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 70.52 110.866 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.44 -31.5 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 74.1 110.919 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -61.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -54.76 -43.04 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.927 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.787 HG21 ' CE2' ' B' ' 553' ' ' TYR . 72.0 p -60.24 -55.43 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 53.31 111.138 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.445 ' HG3' HD13 ' B' ' 546' ' ' LEU . 0.3 OUTLIER -52.15 -46.63 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.23 110.868 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 97' ' ' THR . 3.0 tt0 -60.27 -45.29 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.943 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.03 -34.12 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 52.42 110.923 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.41 -60.7 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 72.43 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.602 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -55.19 -37.99 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.896 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.602 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -63.51 -48.75 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 75.23 111.175 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -25.73 62.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.822 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -80.3 -36.94 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 64.11 110.892 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.22 -36.29 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 64.35 110.902 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.34 -39.23 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.849 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -132.14 67.17 78.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 73.3 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 104.13 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.759 2.306 . . . . 74.22 112.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -36.21 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 72.42 110.884 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -60.94 -32.52 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.917 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.0 tpt -76.64 -23.66 53.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 62.3 110.886 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.69 -48.54 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.924 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.33 127.44 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 72.53 110.909 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -36.06 78.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.956 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.72 -42.4 97.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.512 ' OD2' HD21 ' A' ' 144' ' ' LEU . 3.6 t0 -58.54 -58.87 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -47.62 72.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -52.49 -59.76 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 62.52 110.829 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.36 -41.53 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.919 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.732 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.35 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 72.35 110.924 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.2 ttm -65.17 -58.98 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 75.03 110.84 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -52.76 -46.08 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 75.24 111.139 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.6 tp10 -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.875 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.6 ' O ' HD22 ' A' ' 123' ' ' LEU . 17.4 t80 -61.42 -29.27 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.857 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.415 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.7 mtpp -83.86 -35.26 24.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.942 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -75.44 -33.86 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.21 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.6 m -73.97 -14.83 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.34 111.169 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.81 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -84.92 -37.03 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 74.02 110.905 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.2 mt -92.29 -29.8 16.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.987 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.14 -60.04 4.53 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.615 0.722 . . . . 64.13 110.908 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 61.24 112.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 -19.45 46.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 51.41 112.54 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.475 ' O ' HD23 ' A' ' 131' ' ' LEU . 20.9 m -84.38 49.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 75.43 110.916 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -57.09 -17.46 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 70.44 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.83 23.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 62.11 110.882 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.767 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.3 pp -84.67 165.13 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 65.34 110.864 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.7 m -65.25 140.45 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.834 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.576 HG21 HG22 ' A' ' 91' ' ' THR . 1.0 OUTLIER -55.06 -32.01 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 72.04 111.129 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -52.37 -36.47 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.927 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 131' ' ' LEU . 6.7 mm100 -76.26 -38.86 55.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 63.55 110.929 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.674 ' HB ' HD11 ' A' ' 123' ' ' LEU . 23.0 p -54.65 -50.73 67.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 52.25 111.128 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.515 HD23 ' CE2' ' A' ' 119' ' ' PHE . 79.4 mt -74.06 -48.59 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.911 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.3 tt -51.77 -47.29 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 71.33 110.931 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.25 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 44.04 111.085 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.99 -36.44 39.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.32 111.079 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -71.55 -59.39 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 71.12 110.811 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -54.55 -35.15 62.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 65.25 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -68.7 -33.12 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.913 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.732 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.9 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 62.04 110.841 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 33.87 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 54.3 110.877 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -111.81 154.07 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.03 111.126 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.881 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.841 0.353 . . . . 52.22 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 85.3 mtp -132.71 -175.08 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 50.3 110.914 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.2 160.21 5.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.618 0.723 . . . . 74.23 110.864 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -48.36 0.74 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.724 2.283 . . . . 74.43 112.363 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.53 -168.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 75.22 110.926 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 2.8 p -104.72 97.59 12.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.558 0.695 . . . . 73.11 111.15 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 143.98 52.97 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.725 2.284 . . . . 71.15 112.394 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -175.12 161.52 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.875 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -177.33 179.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.135 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 1.7 m -69.74 146.97 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.798 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -134.89 -72.8 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 70.03 110.916 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 45.9 t -111.98 77.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.807 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 95.0 t -115.37 -35.95 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 75.24 111.128 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -80.16 161.66 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 63.14 110.893 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -177.17 148.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 72.53 110.898 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 533' ' ' ILE . . . . . 0.631 ' O ' HD12 ' B' ' 533' ' ' ILE . 2.9 pp -151.47 148.41 14.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 70.53 111.118 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.5 pp -82.17 153.67 25.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 62.31 110.949 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -145.32 115.51 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 72.41 110.921 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -150.53 109.68 3.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.885 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 5.6 p -179.31 146.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.927 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 111.55 151.23 11.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 44.23 112.473 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -169.92 164.49 9.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.807 0.337 . . . . 63.32 111.065 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -122.09 133.87 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.94 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 11.8 t -178.06 133.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 54.44 110.899 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 127.08 -86.38 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 64.24 112.45 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -89.7 -31.55 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 52.52 110.91 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -48.72 -32.01 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -49.79 -52.93 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.86 -28.8 17.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.981 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.33 62.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 64.45 110.903 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.695 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.5 ptmt -49.82 -51.19 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.922 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.548 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.8 m95 -59.03 -60.95 3.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.834 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.409 HG12 HD23 ' B' ' 554' ' ' LEU . 45.9 t -52.43 -56.03 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 70.33 111.118 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -45.52 -40.98 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.81 HG12 HD23 ' A' ' 123' ' ' LEU . 84.7 t -70.26 -39.45 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.087 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.787 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.06 -44.92 87.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.947 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.409 HD23 HG12 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -80.93 -28.63 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.872 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.73 -33.09 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.861 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -33.07 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.862 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.28 -70.61 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 73.35 112.512 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -139.01 -49.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.706 0.288 . . . . 71.33 110.876 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -174.78 176.49 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.14 110.842 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.99 157.27 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 50.04 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.8 pt -151.51 131.27 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 16.7 tttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 74.43 110.881 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.4 mtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 74.2 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -76.11 148.62 37.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -165.66 149.07 7.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 71.13 110.896 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 t -177.02 157.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 45.25 110.846 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.67 158.56 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 73.54 111.103 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.2 p -176.84 158.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 65.05 110.868 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -176.28 167.41 2.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 70.1 110.939 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -162.3 -176.16 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 52.35 110.869 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -142.86 -175.5 4.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 34.1 110.935 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.35 125.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 71.44 111.108 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.6 mm -126.12 103.28 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.14 111.087 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.3 p -88.83 111.65 22.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 61.02 110.888 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.72 119.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.868 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 m 54.17 57.52 5.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.848 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 tt -57.15 -40.0 70.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 74.14 111.111 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -51.78 -59.5 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 63.45 110.925 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t -69.1 -35.83 76.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 44.32 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -55.05 -25.39 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.909 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -49.52 -29.37 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 70.52 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.65 -31.16 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -70.02 -61.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.923 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -54.03 -45.87 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.919 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.802 HG21 ' CE2' ' B' ' 553' ' ' TYR . 69.0 p -61.64 -55.85 26.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 53.31 111.187 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.08 -45.92 64.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 75.23 110.874 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 97' ' ' THR . 36.5 tt0 -60.63 -45.63 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.878 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -61.4 -34.29 75.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 52.42 110.907 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.85 -60.77 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 72.43 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.86 -37.0 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.897 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.1 p -64.99 -47.42 77.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.23 111.082 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.3 62.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 70.44 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -81.42 -35.06 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 64.11 110.868 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -83.65 -36.83 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 64.35 110.853 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.46 -39.88 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.855 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -129.93 66.85 78.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 73.3 110.903 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 74.22 112.359 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.02 -35.97 82.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -58.5 -33.79 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.923 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.3 tpp -74.3 -23.63 59.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 62.3 110.851 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -86.95 -42.37 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 71.14 110.854 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 110.87 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.877 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.57 -39.2 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.11 -35.99 82.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -56.48 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.34 -39.49 57.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 62.45 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.16 -58.36 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 62.52 110.873 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -52.64 -42.86 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.925 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.726 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.1 tt -64.54 -37.49 87.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 72.35 110.946 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.76 -59.11 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.3 t -53.0 -46.02 68.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.154 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.703 ' O ' HG13 ' A' ' 122' ' ' VAL . 32.0 mt-10 -67.83 -39.88 83.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.614 ' O ' HD22 ' A' ' 123' ' ' LEU . 20.8 t80 -60.53 -29.75 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 75.54 110.907 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HG3' HG11 ' B' ' 552' ' ' VAL . 11.3 mtpp -83.73 -35.51 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.888 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -74.91 -33.5 62.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.904 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 118' ' ' GLU . 24.7 m -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.121 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.798 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -83.51 -37.58 22.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.962 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.9 mt -92.11 -8.1 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.926 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 2.7 tt0 -66.78 -60.38 6.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.615 0.721 . . . . 64.13 110.915 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.79 158.84 55.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.622 2.215 . . . . 61.24 112.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.45 -17.28 53.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 51.41 112.425 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.485 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.5 m -84.69 49.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 75.43 110.881 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -53.3 -20.55 4.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.927 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -85.26 23.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 62.11 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.2 pp -84.12 165.17 18.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 65.34 110.932 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.7 m -66.48 140.71 58.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.903 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.612 HD12 ' CG ' ' B' ' 553' ' ' TYR . 1.1 tt -55.06 -33.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 72.04 111.124 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.42 -35.88 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.884 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.754 ' HB2' HD13 ' A' ' 131' ' ' LEU . 8.5 mm100 -75.68 -39.66 57.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 63.55 110.869 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.683 ' HB ' HD11 ' A' ' 123' ' ' LEU . 22.0 p -55.14 -51.44 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 52.25 111.123 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' A' ' 119' ' ' PHE . 78.3 mt -72.14 -49.95 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.889 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.22 -44.36 64.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.936 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.24 -56.02 10.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 44.04 111.093 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.573 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.23 -40.65 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.041 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.43 -64.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -53.06 -30.06 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 65.25 110.907 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -77.61 -31.27 52.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.887 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.726 HD22 ' HG ' ' A' ' 115' ' ' LEU . 40.7 tp -52.5 -35.13 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 62.04 110.937 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -96.89 -54.49 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 54.3 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.02 30.89 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.093 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.898 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 24.9 m80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.872 0.368 . . . . 52.22 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 43.6 mtm -122.79 -177.06 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 50.3 110.866 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.86 160.18 2.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.568 0.699 . . . . 74.23 110.875 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -48.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 74.43 112.384 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -173.09 -169.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 75.22 110.926 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.402 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 2.8 p -104.53 97.63 12.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.697 . . . . 73.11 111.146 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 524' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 54.5 Cg_endo -69.63 130.49 19.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 71.15 112.411 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -138.12 179.38 6.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.86 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -172.76 172.4 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 74.21 111.112 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.68 130.16 31.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.891 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -98.3 -73.99 0.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 70.03 110.909 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 98.7 p -134.64 36.15 3.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 74.23 110.797 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.55 138.11 20.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 75.24 111.16 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.81 176.43 11.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.892 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -163.67 128.72 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.53 110.885 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 533' ' ' ILE . . . . . 0.581 ' O ' HD12 ' B' ' 533' ' ' ILE . 2.9 pp -151.46 151.73 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 70.53 111.113 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 534' ' ' LEU . . . . . 0.493 HD12 ' C ' ' B' ' 535' ' ' LYS . 1.6 pp -80.09 163.36 24.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 62.31 110.932 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.493 ' C ' HD12 ' B' ' 534' ' ' LEU . 0.0 OUTLIER -70.72 82.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 72.41 110.94 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -107.31 -178.78 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 62.32 110.925 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 67.0 m -108.7 -71.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 74.01 110.886 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 76.03 163.59 14.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 44.23 112.479 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -163.23 164.3 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 63.32 111.106 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -122.01 150.51 41.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 74.22 110.856 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.27 -42.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 54.44 110.871 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 139.81 59.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.692 -0.766 . . . . 64.24 112.502 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -89.56 -32.28 17.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 52.52 110.916 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.57 -32.13 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.862 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -49.62 -53.31 24.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.74 -28.51 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.856 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.955 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.4 ptmt -49.51 -51.22 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.879 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.551 ' CH2' HD22 ' A' ' 115' ' ' LEU . 69.8 m95 -59.25 -61.05 2.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 72.04 110.955 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.493 HG12 HD23 ' B' ' 554' ' ' LEU . 58.7 t -52.06 -56.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 70.33 111.136 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -45.41 -41.49 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.53 110.847 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.798 HG12 HD23 ' A' ' 123' ' ' LEU . 69.2 t -68.92 -39.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.128 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.802 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.72 -45.38 92.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 65.22 110.914 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.493 HD23 HG12 ' B' ' 550' ' ' VAL . 1.4 pp -78.77 -27.77 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.9 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.42 -33.1 62.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.847 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -32.69 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 73.04 110.892 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.54 -72.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 73.35 112.462 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -138.14 -48.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 71.33 110.869 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -174.65 171.49 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.86 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -60.61 159.57 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 50.04 111.104 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.2 131.72 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.142 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 14.4 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.905 179.837 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.5 mtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.778 0.323 . . . . 74.2 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -72.96 148.9 43.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.896 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -147.59 114.54 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.941 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 p -118.23 140.76 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 45.25 110.86 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.68 161.35 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 73.54 111.092 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.0 t -165.66 141.51 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 65.05 110.889 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.45 -175.68 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 70.1 110.878 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -129.23 119.59 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 52.35 110.9 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -175.39 164.42 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 34.1 110.872 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.04 35.97 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 71.44 111.041 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -122.52 -35.24 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.202 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 m -99.53 63.2 1.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.124 -0.489 . . . . 61.02 110.862 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.56 126.29 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 74.11 110.865 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.39 164.83 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.883 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.443 HD12 ' H ' ' A' ' 83' ' ' ILE . 4.6 mp -90.02 -35.64 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 74.14 111.127 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -52.22 -40.68 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 63.45 110.887 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.1 -34.53 43.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 44.32 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -52.74 -28.81 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 72.23 110.836 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.589 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -52.37 -25.62 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 70.52 110.995 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.33 -31.89 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 74.1 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -60.79 2.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.6 -37.21 72.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.782 ' HB ' HD13 ' A' ' 133' ' ' ILE . 65.0 p -65.38 -52.81 51.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 53.31 111.122 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.578 ' HD3' HG21 ' B' ' 550' ' ' VAL . 0.7 OUTLIER -55.32 -50.18 70.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.88 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 97' ' ' THR . 29.8 tt0 -59.38 -46.63 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.884 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -58.66 -35.73 73.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 52.42 110.934 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.16 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.43 111.103 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.6 pp -54.83 -38.27 67.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 71.41 110.958 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 19.2 p -63.14 -47.2 83.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.193 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.638 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -72.02 -26.88 62.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.867 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -79.11 -35.33 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 64.11 110.835 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.57 -41.01 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 64.35 110.926 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.49 -39.93 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -133.51 72.73 74.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 73.3 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 73.87 1.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.752 2.301 . . . . 74.22 112.381 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -33.3 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.914 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -66.13 -35.12 79.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.42 110.961 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.4 tpt -74.57 -23.66 58.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 62.3 110.913 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -86.25 -45.67 11.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 71.14 110.906 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.04 116.43 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.899 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -52.28 -35.75 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.948 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.81 -36.78 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.931 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.23 -56.67 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.832 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -57.49 -39.66 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 62.45 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -60.08 -60.12 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 62.52 110.889 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.26 -40.87 71.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 72.44 110.889 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.778 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -65.03 -39.19 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.838 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -58.71 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.898 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.8 t -53.02 -46.39 68.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.184 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' HG13 ' A' ' 122' ' ' VAL . 12.3 mm-40 -67.72 -38.89 84.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 73.11 110.896 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.633 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 21.7 t80 -61.78 -29.99 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.923 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -82.98 -35.51 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 75.1 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -75.13 -33.7 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.869 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.5 m -75.35 -13.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 71.34 111.117 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.797 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.06 -36.09 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.924 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 57.4 mt -91.82 -29.83 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 75.34 110.905 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 3.7 tt0 -48.14 -60.21 4.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 64.13 110.945 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.66 156.67 62.99 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.749 2.3 . . . . 61.24 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.68 -19.73 43.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 51.41 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.558 ' O ' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -83.21 50.49 1.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.972 0.415 . . . . 75.43 110.901 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -56.8 -16.09 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 70.44 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -86.34 23.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 62.11 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.052 HD11 HG23 ' A' ' 136' ' ' THR . 4.1 pp -86.72 163.99 17.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 65.34 110.936 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.487 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -62.59 140.95 58.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.866 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.782 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -59.44 -20.16 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 72.04 111.112 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.26 -36.25 82.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 75.12 110.948 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.758 ' HB2' HD13 ' A' ' 131' ' ' LEU . 26.9 mm-40 -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 63.55 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.052 HG23 HD11 ' A' ' 131' ' ' LEU . 3.0 p -53.65 -54.03 43.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 52.25 111.182 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.638 HD21 ' CD2' ' A' ' 98' ' ' PHE . 8.9 tp -68.73 -48.42 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.933 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.4 tt -51.42 -47.41 63.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.969 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.96 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 44.04 111.02 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.9 -40.86 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.32 111.101 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -66.92 -62.1 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.19 -37.27 54.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 65.25 110.858 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -66.87 -33.03 74.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.778 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.6 tp -63.78 -35.49 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 62.04 110.923 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -105.09 34.35 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 54.3 110.939 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.73 -56.43 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.08 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.939 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 37.5 m170 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.863 0.363 . . . . 52.22 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 27.7 mmm -148.88 160.76 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 50.3 110.877 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.33 160.21 7.3 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.572 0.701 . . . . 74.23 110.886 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -47.84 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.682 2.255 . . . . 74.43 112.358 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.3 pp -172.34 178.88 2.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.404 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -114.27 97.24 45.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 73.11 111.153 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 524' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 52.8 Cg_endo -69.77 166.41 27.7 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.737 2.291 . . . . 71.15 112.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -152.1 149.93 29.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.857 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -172.72 167.64 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.125 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.71 155.93 16.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.793 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -159.73 113.05 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 70.03 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 3.3 t 50.47 33.06 7.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.85 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 11.6 p -88.31 -32.36 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.041 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -73.62 163.01 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 63.14 110.909 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -161.54 164.85 29.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 72.53 110.884 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.46 153.44 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 70.53 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 534' ' ' LEU . . . . . 0.564 HD12 ' N ' ' B' ' 535' ' ' LYS . 2.2 pp -75.28 172.24 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.942 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.564 ' N ' HD12 ' B' ' 534' ' ' LEU . 34.4 mtmt -141.41 111.86 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.41 110.924 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -107.59 120.81 43.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 62.32 110.932 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 5.0 m -162.85 142.41 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 74.01 110.856 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 175.17 147.69 6.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 44.23 112.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -165.32 166.94 18.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 63.32 111.095 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -145.79 124.85 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.4 155.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 54.44 110.855 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -90.33 -33.9 8.41 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.691 -0.766 . . . . 64.24 112.422 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -89.87 -31.48 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 52.52 110.846 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.79 -32.27 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.54 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -49.58 -52.57 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -91.13 -29.15 17.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 71.42 110.878 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 547' ' ' GLN . . . . . 0.489 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.1 tt0 -50.92 -46.97 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 64.45 110.897 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.682 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.8 ptmt -50.26 -50.66 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.933 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.486 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.8 m95 -59.48 -61.75 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.899 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.578 HG21 ' HD3' ' A' ' 92' ' ' LYS . 48.8 t -52.15 -55.45 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 70.33 111.159 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -46.26 -42.33 14.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.797 HG12 HD23 ' A' ' 123' ' ' LEU . 76.4 t -69.61 -37.63 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.128 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.771 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.43 -45.2 88.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 65.22 110.954 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -27.21 32.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.949 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.96 -32.72 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.838 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.37 -32.61 18.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 73.04 110.83 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.79 -77.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 73.35 112.518 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 -75.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 71.33 110.882 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.02 -174.81 4.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.934 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.99 158.11 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 50.04 111.118 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 16.6 pt -152.25 131.64 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.128 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.848 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.724 0.297 . . . . 74.2 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.89 160.82 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.849 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 61.14 56.99 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.875 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 t -98.25 -63.21 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 45.25 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.64 72.2 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 73.54 111.182 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -93.74 -42.03 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 65.05 110.883 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -80.51 135.16 36.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 70.1 110.893 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -111.97 -175.21 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 52.35 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.39 159.64 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 34.1 110.822 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.0 85.14 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 71.44 111.072 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 79' ' ' ILE . 8.0 tt -136.95 30.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.139 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -66.68 -74.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 61.02 110.885 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -133.23 -170.22 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 p -53.77 108.77 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 73.52 110.828 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.7 mt -90.26 -35.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 74.14 111.109 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -51.07 -46.18 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 63.45 110.914 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.5 t -76.69 -40.04 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 44.32 110.893 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.37 -23.05 46.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.904 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 91' ' ' THR . 53.4 mmtt -49.6 -29.97 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 70.52 110.839 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -49.32 -32.06 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 74.1 110.944 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.62 -61.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 72.22 110.928 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.27 -35.79 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 72.41 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.796 HG21 ' CE2' ' B' ' 553' ' ' TYR . 67.5 p -65.51 -58.07 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 53.31 111.108 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.764 ' HD2' HG21 ' B' ' 550' ' ' VAL . 4.6 tptt -51.94 -47.12 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.916 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.6 tt0 -61.01 -45.14 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.925 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.99 -34.45 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 52.42 110.917 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.43 -60.72 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.057 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.8 pp -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.41 110.946 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.599 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -64.3 -47.71 78.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.157 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.31 61.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.825 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -81.56 -36.0 29.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.11 110.828 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -83.72 -36.85 23.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 64.35 110.961 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -73.96 -39.67 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.855 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -132.73 67.4 78.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.586 0.708 . . . . 73.3 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.11 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 74.22 112.339 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.543 ' OE1' HD12 ' A' ' 115' ' ' LEU . 16.6 tt0 -57.97 -34.79 70.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.915 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.89 -33.18 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.42 110.935 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -23.69 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 62.3 110.833 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -89.58 -37.56 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 71.14 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 106.73 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.9 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -34.42 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.87 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.71 -43.66 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.11 110.843 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.46 -47.23 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.806 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.17 -35.45 77.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 62.45 110.853 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.64 -59.76 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 62.52 110.942 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.666 ' HG3' HD11 ' A' ' 144' ' ' LEU . 3.4 pt20 -54.33 -41.81 69.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.861 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.758 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -65.18 -37.73 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 72.35 110.932 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -64.62 -58.69 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.03 110.867 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.6 t -53.42 -46.0 69.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.24 111.158 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.66 ' O ' HG13 ' A' ' 122' ' ' VAL . 19.4 mt-10 -68.06 -37.69 81.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.896 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.606 ' O ' HD22 ' A' ' 123' ' ' LEU . 20.2 t80 -62.07 -30.11 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.876 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.404 ' HG3' HG11 ' B' ' 552' ' ' VAL . 23.2 mtpt -83.86 -35.76 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.877 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -74.44 -33.67 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 118' ' ' GLU . 33.7 m -74.86 -14.26 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 71.34 111.124 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.79 HD23 HG12 ' B' ' 552' ' ' VAL . 0.6 OUTLIER -87.0 -34.41 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.872 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.62 -31.7 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.56 -60.3 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.669 0.747 . . . . 64.13 110.932 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.77 153.9 68.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.222 . . . . 61.24 112.359 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.57 -18.65 47.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.713 -0.756 . . . . 51.41 112.408 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.513 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.9 t -86.0 49.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 75.43 110.875 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -16.87 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.904 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -74.38 -1.11 19.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 62.11 110.855 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.1 pp -63.52 164.83 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 65.34 110.866 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.428 ' O ' HD12 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -69.79 144.09 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.846 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.65 HG21 HG22 ' A' ' 91' ' ' THR . 1.8 tt -56.2 -33.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.04 111.113 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -51.12 -36.07 38.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.94 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.729 ' HB2' HD13 ' A' ' 131' ' ' LEU . 24.0 mm-40 -76.8 -37.66 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 63.55 110.907 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.674 ' HB ' HD11 ' A' ' 123' ' ' LEU . 21.1 p -56.83 -49.65 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 52.25 111.069 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 119' ' ' PHE . 87.4 mt -74.4 -48.23 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.947 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.69 -42.61 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.33 -56.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 44.04 111.087 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.64 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.12 -35.77 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.32 111.08 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.28 -64.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 71.12 110.914 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.02 -35.84 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 65.25 110.911 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.7 -34.29 77.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.758 HD22 ' HG ' ' A' ' 115' ' ' LEU . 9.4 tp -64.57 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 62.04 110.964 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.455 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -104.52 34.07 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 54.3 110.899 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -85.3 -46.35 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.058 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.04 110.879 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.817 0.341 . . . . 52.22 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 23.6 mtm -90.76 170.92 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 50.3 110.938 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -86.97 156.42 55.06 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.557 0.694 . . . . 74.23 110.905 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 521' ' ' PRO . . . . . 0.411 ' HB2' HD23 ' B' ' 522' ' ' LEU . 53.7 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.689 2.259 . . . . 74.43 112.377 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 522' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' B' ' 521' ' ' PRO . 0.7 OUTLIER -174.89 169.3 3.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 75.22 110.937 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.402 HG23 ' O ' ' B' ' 523' ' ' THR . 1.8 t -119.91 97.22 49.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.526 0.679 . . . . 73.11 111.162 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.14 29.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 71.15 112.349 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -122.25 70.67 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 74.23 110.854 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -148.19 -176.38 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.21 111.087 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.22 107.37 9.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.948 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.86 160.65 37.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 70.03 110.893 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 4.7 t 50.93 30.57 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.878 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 14.8 p -91.96 146.49 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 75.24 111.13 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -112.6 145.02 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 63.14 110.922 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -120.67 137.15 54.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.891 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -142.83 -177.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.132 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -53.49 172.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 62.31 110.946 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -76.23 81.19 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.925 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -107.6 66.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 62.32 110.921 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 15.1 p -59.85 121.39 11.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 74.01 110.878 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -134.1 -120.33 2.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 44.23 112.434 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -160.65 168.78 24.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 63.32 111.092 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -145.97 150.96 37.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 74.22 110.921 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 2.2 t -137.42 -41.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 54.44 110.863 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 73.69 110.13 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 64.24 112.47 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -89.73 -30.85 17.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 52.52 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -48.64 -31.89 7.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.54 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -49.64 -52.84 27.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.88 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.19 -29.29 17.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 71.42 110.906 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -47.33 63.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 64.45 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.689 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.39 -51.47 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.891 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -59.2 -61.07 2.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.928 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.764 HG21 ' HD2' ' A' ' 92' ' ' LYS . 49.2 t -52.02 -56.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 70.33 111.067 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -45.23 -42.56 9.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.887 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.79 HG12 HD23 ' A' ' 123' ' ' LEU . 93.6 t -69.16 -39.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.118 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.42 -46.14 87.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 65.22 110.93 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.421 HD23 HG12 ' B' ' 550' ' ' VAL . 1.0 OUTLIER -80.04 -27.06 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 74.44 110.941 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.86 -32.73 65.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.888 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -32.46 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.04 110.939 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -64.38 -71.07 0.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 73.35 112.443 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.82 -74.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 71.33 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -160.58 -173.9 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 64.14 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.97 157.49 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 50.04 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 561' ' ' ILE . . . . . 0.419 ' CG1' HD22 ' B' ' 554' ' ' LEU . 14.1 pt -152.97 135.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.111 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 23.5 pttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.875 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.0 tpp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.715 0.293 . . . . 74.2 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -77.43 153.34 33.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 71.45 110.818 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -142.86 151.91 41.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 71.13 110.862 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.1 p -166.0 165.41 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 45.25 110.845 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -141.0 147.74 39.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 73.54 111.138 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -142.67 131.17 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 65.05 110.891 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -87.86 146.07 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 70.1 110.889 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -165.71 158.45 15.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 52.35 110.896 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 m -141.96 112.57 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 34.1 110.846 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.528 ' O ' HD13 ' A' ' 79' ' ' ILE . . . -96.99 107.37 19.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 71.44 111.077 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.528 HD13 ' O ' ' A' ' 78' ' ' ALA . 32.1 mm -125.15 87.45 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.133 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 p -124.39 96.72 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.798 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.9 t -170.43 168.04 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.869 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.25 113.55 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.88 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 tp -61.32 -33.38 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 74.14 111.128 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -52.31 -59.21 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 63.45 110.918 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.4 p -74.07 -34.38 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 44.32 110.867 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -52.41 -27.98 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -50.06 -28.14 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 70.52 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.99 -31.53 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -69.73 -60.13 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -55.87 -46.97 78.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.92 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.828 HG22 HG21 ' A' ' 133' ' ' ILE . 65.8 p -59.92 -55.06 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 53.31 111.095 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -47.58 62.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.88 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -59.08 -47.31 85.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.924 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.15 -35.43 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 52.42 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.61 -60.28 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 97' ' ' THR . 2.7 pp -56.12 -37.75 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 71.41 110.894 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.613 ' N ' HD12 ' A' ' 96' ' ' LEU . 19.6 p -63.2 -48.3 78.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.181 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.765 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.65 -27.3 62.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 70.44 110.895 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -78.11 -37.78 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.872 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -82.05 -39.75 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 64.35 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.71 -36.79 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -135.39 71.0 67.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 73.3 110.863 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 80.37 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.746 2.297 . . . . 74.22 112.446 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -35.94 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.887 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -59.82 -34.26 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.954 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 tpt -74.43 -23.44 58.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 62.3 110.867 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -83.54 -48.24 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.893 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.18 118.85 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.53 110.843 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.73 -35.7 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.929 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.08 -39.44 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.856 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.535 ' OD2' HD21 ' A' ' 144' ' ' LEU . 2.1 t0 -53.12 -58.92 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.899 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -51.86 -43.61 63.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 62.45 110.898 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.44 -58.93 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 62.52 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -51.2 -43.05 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.948 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.735 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -64.26 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.917 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -64.99 -59.28 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.88 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 118' ' ' GLU . 2.7 t -51.92 -47.32 64.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.11 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.686 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -67.53 -37.7 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.858 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 23.1 t80 -62.01 -30.27 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.887 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -82.85 -35.13 26.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 75.1 110.902 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -33.78 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 118' ' ' GLU . 30.5 m -75.31 -13.99 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.119 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.8 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -85.87 -36.98 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.911 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.78 -28.91 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 75.34 110.946 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.5 tp10 -48.77 -60.1 5.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 64.13 110.906 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.72 156.77 62.58 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.741 2.294 . . . . 61.24 112.352 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 -18.77 47.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 51.41 112.506 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.53 ' O ' HD23 ' A' ' 131' ' ' LEU . 47.8 m -83.11 50.48 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 75.43 110.88 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -58.1 -15.51 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -86.62 23.96 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 62.11 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.108 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -87.75 163.62 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.914 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.31 140.48 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.807 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.828 HG21 HG22 ' A' ' 91' ' ' THR . 2.9 tt -59.39 -20.17 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 72.04 111.144 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.9 -36.09 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.73 ' HB2' HD13 ' A' ' 131' ' ' LEU . 27.8 mm-40 -73.88 -41.96 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 63.55 110.858 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.108 HG23 HD11 ' A' ' 131' ' ' LEU . 2.1 p -54.78 -54.04 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 52.25 111.132 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.765 HD21 ' CD2' ' A' ' 98' ' ' PHE . 9.8 tp -68.22 -47.57 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.926 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.15 -45.46 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.991 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.68 38.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 44.04 111.077 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -55.63 -34.88 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 73.32 111.062 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -71.19 -62.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.12 110.873 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -54.12 -38.98 66.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 65.25 110.856 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -63.53 -33.9 76.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.856 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.735 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.3 tp -64.34 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 62.04 110.88 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -106.13 34.27 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 54.3 110.864 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.12 126.58 49.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 73.03 111.133 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.903 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 52.1 t60 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.83 0.348 . . . . 52.22 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -157.4 169.69 24.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 50.3 110.847 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.24 160.21 13.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.66 0.743 . . . . 74.23 110.87 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.86 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.685 2.257 . . . . 74.43 112.341 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.64 179.12 8.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.918 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.402 HG23 ' O ' ' B' ' 523' ' ' THR . 1.8 t -122.55 97.18 44.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.561 0.696 . . . . 73.11 111.111 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 137.15 34.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 71.15 112.314 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -172.96 -175.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.865 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -160.1 165.16 32.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.21 111.147 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 65.5 p -92.43 147.72 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.856 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -127.24 -69.8 0.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 70.03 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 5.3 t -115.42 58.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.857 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.83 -51.03 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 75.24 111.147 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -107.18 177.91 4.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 63.14 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -167.62 157.73 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.53 110.851 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.71 128.22 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 70.53 111.187 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.11 162.75 24.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 62.31 110.872 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.07 129.15 46.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.923 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -110.89 148.5 32.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 62.32 110.947 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 2.6 p -113.92 107.68 16.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.01 110.861 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 103.57 -175.14 23.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 44.23 112.491 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -142.59 170.36 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.711 0.291 . . . . 63.32 111.128 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -145.39 125.76 13.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.938 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.56 171.35 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 54.44 110.878 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.68 77.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 64.24 112.453 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.92 -31.77 17.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.793 0.33 . . . . 52.52 110.846 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.91 -32.13 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -49.74 -52.69 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -90.93 -29.18 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.879 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.26 -47.13 55.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.45 110.906 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.678 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.0 ptmt -50.3 -50.17 51.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.933 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.515 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.6 m95 -60.15 -61.27 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.885 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.507 HG12 HD23 ' B' ' 554' ' ' LEU . 62.5 t -52.13 -56.18 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 70.33 111.145 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -45.88 -42.81 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.827 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.8 HG12 HD23 ' A' ' 123' ' ' LEU . 71.5 t -68.45 -38.41 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 73.21 111.186 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.785 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.0 -45.31 95.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 65.22 110.89 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.507 HD23 HG12 ' B' ' 550' ' ' VAL . 1.2 pp -79.53 -26.94 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 74.44 110.905 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.55 -33.16 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.888 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -32.37 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.903 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.17 -74.76 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 73.35 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -135.14 -50.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 71.33 110.978 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -174.65 172.87 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 64.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.82 162.27 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 50.04 111.098 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt -151.52 136.51 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.145 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.901 179.89 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.821 0.343 . . . . 74.2 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.58 148.39 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.45 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -75.31 110.71 9.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.13 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -73.89 -67.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 45.25 110.886 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 54.01 49.5 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 73.54 111.123 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 t -130.48 93.04 3.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 65.05 110.875 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.44 175.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.1 110.869 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -123.58 127.41 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 52.35 110.836 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -56.11 137.49 51.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 34.1 110.864 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.36 42.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.44 111.128 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.9 mt -105.1 89.72 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.14 111.157 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.5 p -175.47 158.94 2.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.864 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -115.78 73.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 74.11 110.878 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 m -138.33 115.57 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.845 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.449 HD12 ' H ' ' A' ' 83' ' ' ILE . 5.1 mp -84.85 -44.95 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 74.14 111.1 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -57.6 -35.76 70.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 63.45 110.961 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.91 -37.22 59.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 44.32 110.931 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.88 -28.97 17.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 72.23 110.933 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 91' ' ' THR . 5.7 mptt -50.56 -27.45 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 70.52 110.929 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.63 -31.68 7.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 74.1 110.877 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -68.32 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 72.22 110.908 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -57.6 -39.54 77.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 72.41 110.916 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.758 HG21 ' CE2' ' B' ' 553' ' ' TYR . 69.7 p -63.19 -53.07 58.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 53.31 111.232 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.666 ' HE2' HG21 ' B' ' 550' ' ' VAL . 0.2 OUTLIER -55.14 -47.7 74.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.939 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 96' ' ' LEU . 4.8 tt0 -59.91 -45.32 92.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.834 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 52.42 110.873 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.44 -60.78 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 72.43 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.88 -37.89 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.41 110.869 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.607 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.0 p -63.86 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 75.23 111.11 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -24.5 62.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.822 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -81.94 -35.34 29.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 64.11 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -84.94 -36.4 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 64.35 110.914 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.74 -40.14 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.857 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -132.56 67.55 78.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 73.3 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 73.37 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 74.22 112.352 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -35.72 46.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.911 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.52 -34.23 70.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.93 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.8 mtp -74.52 -23.44 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 62.3 110.928 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -87.27 -35.84 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 71.14 110.858 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -154.68 116.49 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.929 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -58.28 -41.82 85.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.92 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.24 -37.56 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.885 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.6 -49.76 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -53.03 -53.62 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 62.45 110.821 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.46 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 62.52 110.84 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.79 -42.44 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 72.44 110.957 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.719 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.58 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.889 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.9 ttt -63.84 -59.09 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.915 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -53.62 -46.37 70.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 75.24 111.167 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.9 OUTLIER -66.12 -41.2 90.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.824 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.571 ' O ' HD22 ' A' ' 123' ' ' LEU . 13.1 t80 -62.1 -28.03 69.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.83 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.463 ' HG3' HG11 ' B' ' 552' ' ' VAL . 27.8 mtpt -83.28 -32.4 26.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.799 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -79.56 -32.93 42.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 75.21 110.951 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 118' ' ' GLU . 28.1 m -73.32 -13.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.154 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.827 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.49 -37.79 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 74.02 110.938 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.17 -29.6 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.921 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -46.79 -60.47 3.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.679 0.752 . . . . 64.13 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.79 159.37 53.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 61.24 112.346 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.14 -19.62 45.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.737 -0.744 . . . . 51.41 112.564 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.438 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.9 m -84.0 49.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 75.43 110.818 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -16.71 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.939 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -87.13 24.05 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 62.11 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.043 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -86.59 163.62 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.34 110.942 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -61.56 141.72 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.803 HD12 ' CG ' ' B' ' 553' ' ' TYR . 6.3 tt -59.06 -20.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 72.04 111.129 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 131' ' ' LEU . 29.0 mm-40 -73.7 -42.69 60.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.55 110.906 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.043 HG23 HD11 ' A' ' 131' ' ' LEU . 1.9 p -53.7 -52.34 60.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 52.25 111.106 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 119' ' ' PHE . 87.7 mt -68.82 -50.16 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 73.04 110.939 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.28 -47.09 62.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.927 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.46 -49.95 64.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 44.04 111.123 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.611 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.13 -35.31 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.043 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -71.48 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.3 -37.22 69.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 65.25 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -65.73 -33.51 76.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.932 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.719 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.8 tp -63.5 -35.5 80.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 62.04 110.922 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.27 33.88 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 54.3 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.12 125.72 48.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.03 111.089 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.04 110.863 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 17.4 p80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.877 0.37 . . . . 52.22 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -164.04 174.08 11.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 50.3 110.888 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.61 158.48 1.52 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.599 0.714 . . . . 74.23 110.828 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -46.14 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.276 . . . . 74.43 112.387 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.96 -179.43 7.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.857 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -123.81 97.12 41.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.554 0.693 . . . . 73.11 111.139 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 144.76 55.28 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.662 2.241 . . . . 71.15 112.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -155.38 168.16 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.875 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -149.42 157.74 43.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.113 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.09 114.0 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 74.31 110.858 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.52 -166.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 70.03 110.876 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 26.8 t -67.41 85.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.23 110.837 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 94.2 t -121.63 137.79 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.145 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -112.86 173.38 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 63.14 110.887 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -159.0 147.8 18.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 72.53 110.902 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.3 pt -120.62 126.23 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 70.53 111.114 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.31 143.77 34.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 62.31 110.872 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -121.73 121.23 36.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.933 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -149.9 130.33 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 62.32 110.917 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.95 147.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.894 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 69.07 161.9 2.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 44.23 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -71.6 171.78 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 63.32 111.084 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -101.41 -44.41 5.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 2.9 t -137.01 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 54.44 110.82 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 98.19 -99.25 2.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 64.24 112.449 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -89.75 -32.7 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 52.52 110.831 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -32.15 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.914 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -49.86 -52.93 28.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.78 -28.4 18.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.929 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -47.49 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 64.45 110.908 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.713 ' O ' HG23 ' B' ' 552' ' ' VAL . 11.8 ptmt -50.03 -52.1 36.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 74.23 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.566 ' CH2' HD22 ' A' ' 115' ' ' LEU . 74.3 m95 -58.84 -62.02 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.918 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.666 HG21 ' HE2' ' A' ' 92' ' ' LYS . 48.8 t -51.1 -55.95 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 70.33 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -44.95 -42.92 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.846 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.827 HG12 HD23 ' A' ' 123' ' ' LEU . 99.4 t -67.88 -40.67 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.099 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.803 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -58.95 -44.39 91.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 65.22 110.892 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.475 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -81.18 -26.32 36.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.44 110.94 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.93 -33.28 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.851 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -31.4 19.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 73.04 110.871 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.28 -75.71 0.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 73.35 112.485 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.63 -63.65 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 71.33 110.946 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -175.07 -171.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.835 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -66.52 152.94 44.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 50.04 111.104 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.9 pt -153.2 137.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.123 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.885 179.8 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.9 ppp? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 74.2 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -52.05 134.47 32.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.889 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.0 134.94 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -93.45 139.34 30.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 45.25 110.955 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.08 -174.12 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 73.54 111.044 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.4 m -126.65 -74.26 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 65.05 110.922 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -174.02 165.01 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 70.1 110.878 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -176.63 137.04 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 52.35 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 p -176.25 175.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 34.1 110.884 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -121.95 78.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 71.44 111.128 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.8 mt -120.13 -35.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.14 111.074 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -52.2 166.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 61.02 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 t -61.72 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 74.11 110.863 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -52.1 104.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.825 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.25 -34.12 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 74.14 111.104 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -55.12 -48.77 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 63.45 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -64.09 -57.4 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 44.32 110.947 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -52.99 -27.5 19.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.942 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -49.9 -28.36 6.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 70.52 110.93 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.14 -31.38 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -65.34 -61.51 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 72.22 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -49.85 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.961 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.796 HG21 ' CE2' ' B' ' 553' ' ' TYR . 34.0 p -54.97 -56.83 15.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 53.31 111.211 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HG3' HD13 ' B' ' 546' ' ' LEU . 13.5 ttmt -51.15 -42.94 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.953 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 97' ' ' THR . 3.9 tt0 -61.02 -45.43 94.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.951 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.44 -34.97 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 52.42 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.65 -60.73 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 72.43 111.127 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 97' ' ' THR . 2.6 pp -54.86 -39.73 68.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 71.41 110.966 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.582 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.3 p -61.7 -47.02 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 75.23 111.18 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -29.26 64.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 70.44 110.841 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.98 -36.04 59.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 64.11 110.89 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -83.87 -42.75 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 64.35 110.951 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.4 -39.76 85.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.813 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -136.27 74.89 54.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 73.3 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 74.15 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.659 2.239 . . . . 74.22 112.338 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -36.11 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.913 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 72.42 110.878 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.2 tpp -79.65 -23.57 42.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 62.3 110.878 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -48.52 12.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 71.14 110.889 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.24 112.33 3.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.866 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -35.28 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.22 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.64 -37.65 76.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.92 -58.47 8.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.856 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -52.85 -43.9 66.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 62.45 110.886 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.32 -58.46 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 62.52 110.885 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -52.06 -42.6 63.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.98 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.95 85.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 72.35 110.866 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.4 ttp -65.69 -59.17 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 75.03 110.924 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.0 t -51.89 -46.48 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 75.24 111.151 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.9 mm-40 -68.51 -34.89 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.859 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.604 ' O ' HD13 ' A' ' 123' ' ' LEU . 11.5 t80 -65.94 -27.88 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.879 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HG3' HG11 ' B' ' 552' ' ' VAL . 16.5 mtpt -84.39 -36.34 22.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.935 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -73.59 -33.21 64.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.895 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.659 HG21 ' HB2' ' A' ' 140' ' ' ALA . 35.8 m -75.06 -13.47 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 71.34 111.122 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.808 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.93 -35.56 18.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 74.02 110.913 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.66 -29.83 16.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.8 tp10 -49.03 -60.61 4.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.674 0.749 . . . . 64.13 110.877 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.68 155.67 65.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.236 . . . . 61.24 112.411 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.91 -19.47 43.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 51.41 112.539 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.533 ' O ' HD23 ' A' ' 131' ' ' LEU . 58.7 m -85.88 48.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 75.43 110.877 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -58.77 -15.6 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.954 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -73.85 -3.12 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 62.11 110.941 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.1 pp -63.71 164.52 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 65.34 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -71.3 147.67 47.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.901 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.64 HG21 HG22 ' A' ' 91' ' ' THR . 16.2 tt -57.51 -32.41 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 72.04 111.1 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -38.78 34.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.953 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.708 ' HB2' HD13 ' A' ' 131' ' ' LEU . 7.7 mm100 -76.76 -35.14 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.55 110.935 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.717 ' HB ' HD11 ' A' ' 123' ' ' LEU . 20.5 p -59.67 -50.31 74.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 52.25 111.086 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.2 tp -73.16 -47.08 46.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.925 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.57 -51.11 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.888 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.71 -54.84 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 44.04 111.088 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.659 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.88 -45.16 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.084 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -61.49 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.886 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 146' ' ' ALA . 1.7 mm-40 -51.78 -35.72 44.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 65.25 110.91 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -72.99 -32.06 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.875 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 144' ' ' LEU . 1.2 tm? -67.38 -48.1 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 62.04 110.962 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.72 32.82 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 54.3 110.968 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 142' ' ' GLU . . . -89.07 134.71 33.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.03 111.075 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.933 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.728 0.299 . . . . 52.22 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 18.7 mtt -104.85 174.82 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 50.3 110.857 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.44 160.24 70.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.578 0.704 . . . . 74.23 110.906 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.87 -48.14 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.688 2.259 . . . . 74.43 112.322 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.3 pp -172.26 178.58 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 75.22 110.959 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 523' ' ' THR . 1.8 t -111.94 97.25 37.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.576 0.703 . . . . 73.11 111.109 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 162.74 40.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 71.15 112.324 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -125.62 143.65 50.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.915 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -176.94 174.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.21 111.126 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 13.7 m -88.82 174.02 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.832 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -168.28 125.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 70.03 110.917 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 2.4 t 50.4 31.6 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.23 110.867 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 10.7 p -93.29 140.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 75.24 111.14 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -163.17 176.52 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 63.14 110.931 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 532' ' ' ASN . . . . . 0.477 ' O ' HG23 ' B' ' 533' ' ' ILE . 9.7 t30 -160.83 158.17 27.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.53 110.849 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 533' ' ' ILE . . . . . 0.518 ' O ' HD12 ' B' ' 533' ' ' ILE . 1.2 pp -158.19 161.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 70.53 111.121 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 534' ' ' LEU . . . . . 0.465 HD12 ' N ' ' B' ' 535' ' ' LYS . 1.6 pp -80.21 163.35 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 62.31 110.881 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.465 ' N ' HD12 ' B' ' 534' ' ' LEU . 2.7 mmmm -140.32 124.59 17.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.864 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -152.02 147.96 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.881 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 3.9 m -160.03 176.94 11.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.819 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 134.77 140.17 4.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 44.23 112.48 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -173.95 169.0 4.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.79 0.328 . . . . 63.32 111.088 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -145.49 -176.95 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.931 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 3.5 t -177.6 159.33 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 54.44 110.886 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.38 -82.2 1.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 64.24 112.501 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -89.83 -31.43 17.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 52.52 110.863 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -48.48 -32.19 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -49.9 -53.24 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.494 HD13 ' HG3' ' A' ' 92' ' ' LYS . 4.5 pp -90.48 -28.37 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.939 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 547' ' ' GLN . . . . . 0.422 ' N ' HD12 ' B' ' 546' ' ' LEU . 0.5 OUTLIER -50.58 -47.75 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 64.45 110.85 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.712 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.86 -51.17 42.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.933 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -58.98 -60.89 3.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 72.04 110.859 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 56.3 t -52.36 -55.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 70.33 111.106 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -41.21 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.868 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 123' ' ' LEU . 94.4 t -70.24 -39.17 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.107 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -57.87 -45.53 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 65.22 110.888 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -28.33 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.934 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.84 -32.91 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.839 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -32.63 17.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.934 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.52 -78.22 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 73.35 112.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -57.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 71.33 110.939 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -174.63 -175.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 64.14 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -67.67 154.12 42.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 50.04 111.088 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.2 pt -151.36 131.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.118 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 74.43 110.889 179.832 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.793 0.33 . . . . 74.2 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -83.07 126.05 32.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.929 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -176.56 177.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.9 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p -174.61 161.75 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 45.25 110.838 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.43 156.82 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 73.54 111.159 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -174.18 178.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 65.05 110.88 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -162.79 120.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 70.1 110.862 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -171.17 108.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 52.35 110.929 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -125.24 100.77 6.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 34.1 110.859 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -121.23 112.02 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 71.44 111.119 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 mm -107.72 67.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.118 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 m -167.55 -178.58 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 61.02 110.86 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -58.93 120.73 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.841 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 m -79.35 61.9 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -88.29 -34.16 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 74.14 111.198 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -53.31 -35.74 60.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 63.45 110.959 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.5 m -77.38 -42.39 36.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.49 . . . . 44.32 110.816 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.72 -29.37 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 72.23 110.899 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -51.34 -26.41 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 70.52 110.856 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.66 -31.69 7.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.432 . . . . 74.1 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -61.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.945 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.39 -37.15 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.776 HG21 ' CE2' ' B' ' 553' ' ' TYR . 62.5 p -64.17 -55.67 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 53.31 111.172 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.87 -45.19 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HA ' HD21 ' A' ' 96' ' ' LEU . 3.2 tt0 -61.07 -44.97 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.887 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.38 -34.76 77.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 52.42 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.83 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.43 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.59 -38.44 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 71.41 110.932 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.6 p -63.46 -47.14 83.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.23 111.188 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.639 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.92 -26.22 62.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.874 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.3 -36.01 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.881 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -83.69 -37.29 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 64.35 110.932 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -36.03 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.856 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -132.05 68.06 79.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 73.3 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.687 2.258 . . . . 74.22 112.309 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.68 -35.34 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 72.42 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.17 -34.69 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -74.74 -23.48 58.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 62.3 110.871 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -85.86 -48.53 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.36 137.36 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.915 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -68.41 -36.13 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.878 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.45 -36.21 60.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.914 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.33 -52.7 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -55.38 21.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 62.45 110.838 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.04 -55.73 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.52 110.933 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -50.98 -46.88 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 141' ' ' HIS . 0.2 OUTLIER -63.94 -34.24 77.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 72.35 110.917 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.3 ttt -66.58 -59.88 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.03 110.873 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -52.16 -46.17 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.137 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.5 mt-10 -67.9 -35.22 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 73.11 110.888 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.607 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 17.6 t80 -65.29 -28.86 69.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.862 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HG3' HG11 ' B' ' 552' ' ' VAL . 14.7 mtpt -83.75 -35.51 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.1 110.91 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -74.51 -33.25 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.937 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 140' ' ' ALA . 35.5 m -74.93 -15.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 71.34 111.166 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.803 HD23 HG12 ' B' ' 552' ' ' VAL . 0.4 OUTLIER -84.7 -36.47 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.895 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.67 -8.04 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.4 tt0 -68.61 -60.52 4.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.611 0.72 . . . . 64.13 110.84 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.75 158.25 57.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 61.24 112.333 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -18.87 47.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 51.41 112.527 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.544 ' O ' HD23 ' A' ' 131' ' ' LEU . 0.8 OUTLIER -83.18 50.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 75.43 110.814 -179.693 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -18.77 4.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.892 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -85.73 24.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 62.11 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.135 HD11 HG23 ' A' ' 136' ' ' THR . 4.1 pp -85.71 164.15 17.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 65.34 110.913 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.512 ' O ' HD12 ' A' ' 131' ' ' LEU . 19.6 m -61.8 140.19 58.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.881 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.778 HD12 ' CG ' ' B' ' 553' ' ' TYR . 5.2 tt -60.14 -20.27 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.04 111.108 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -68.19 -35.62 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.929 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.707 ' HB2' HD13 ' A' ' 131' ' ' LEU . 7.3 mm100 -73.45 -40.36 64.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 63.55 110.903 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.135 HG23 HD11 ' A' ' 131' ' ' LEU . 1.6 p -57.7 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 52.25 111.177 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.639 HD21 ' CD2' ' A' ' 98' ' ' PHE . 12.8 tp -67.42 -52.14 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 73.04 110.904 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.89 -53.88 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 44.04 111.058 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.92 -45.95 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 73.32 111.087 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.464 ' CD2' HD11 ' A' ' 115' ' ' LEU . 4.3 t-80 -61.32 -63.45 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 71.12 110.814 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.79 -36.81 49.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 65.25 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -73.13 -30.8 63.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.917 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 118' ' ' GLU . 1.3 tm? -66.48 -48.04 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 62.04 110.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.21 33.99 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 54.3 110.893 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.59 136.13 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.107 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 75.04 110.97 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 8.1 t60 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.786 0.327 . . . . 52.22 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 3.2 mtt -143.11 -179.34 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 50.3 110.869 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.01 160.13 4.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 74.23 110.913 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.23 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.262 . . . . 74.43 112.361 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.29 -168.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.91 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 2.6 p -104.66 97.78 13.3 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 73.11 111.181 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.1 66.32 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.76 2.306 . . . . 71.15 112.356 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.95 165.65 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.809 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -173.83 -179.09 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.096 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 2.6 p -98.92 142.3 30.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 74.31 110.86 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -134.02 -73.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 70.03 110.858 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 37.6 p -102.83 74.87 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.848 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 87.2 t -115.32 -36.66 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 75.24 111.146 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -58.91 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 63.14 110.92 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -165.9 169.08 15.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.76 149.46 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 70.53 111.14 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -67.13 -173.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 62.31 110.906 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -140.45 110.84 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.827 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -152.19 127.91 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 62.32 110.889 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.7 m -170.02 176.48 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 74.01 110.885 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -117.5 -138.52 6.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 44.23 112.474 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -135.29 172.53 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 63.32 111.127 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -145.31 142.26 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.872 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.89 145.86 23.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 54.44 110.832 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.22 -48.74 3.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 64.24 112.469 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -89.74 -31.61 17.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 52.52 110.876 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.68 -31.66 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.54 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -49.63 -53.19 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.25 110.846 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.93 -29.76 17.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 71.42 110.955 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 547' ' ' GLN . . . . . 0.403 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.4 tt0 -50.49 -47.64 57.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.9 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.699 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.6 ptmt -49.39 -51.1 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 74.23 110.938 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -59.36 -61.55 2.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 72.04 110.875 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.661 HG12 HD23 ' B' ' 554' ' ' LEU . 60.6 t -51.86 -56.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 70.33 111.201 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -43.19 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 75.53 110.891 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.803 HG12 HD23 ' A' ' 123' ' ' LEU . 71.2 t -67.09 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.079 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.778 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -61.72 -45.45 93.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 65.22 110.945 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.661 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -77.26 -27.83 53.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.874 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -75.92 -32.69 59.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.888 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -32.28 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.04 110.902 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.27 -75.62 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 73.35 112.487 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.12 -75.03 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 71.33 110.938 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.55 -174.81 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.906 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -59.97 158.08 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 50.04 111.081 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 561' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' B' ' 554' ' ' LEU . 14.1 pt -153.04 137.38 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 73.03 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.925 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.9 mtt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.786 0.327 . . . . 74.2 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.21 148.67 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 71.45 110.891 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -117.09 133.67 55.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.871 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.1 m -132.08 179.63 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 45.25 110.868 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.68 -176.35 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.54 111.062 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -90.17 153.92 20.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.023 0.44 . . . . 65.05 110.841 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -149.36 146.98 27.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 70.1 110.915 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -59.86 -173.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 52.35 110.861 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -154.09 146.21 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 34.1 110.862 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.61 69.96 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.13 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' ILE . 11.4 tt -115.52 116.72 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 74.14 111.058 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.5 t -114.3 36.28 3.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 61.02 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.1 p -87.27 -174.33 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 74.11 110.859 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 m -89.0 73.91 8.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 73.52 110.887 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 tt -51.84 -33.43 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.093 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -52.14 -34.52 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 63.45 110.868 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.9 t -51.11 -41.41 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 44.32 110.949 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.12 -29.6 24.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.938 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -51.76 -26.68 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 70.52 110.909 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.81 -31.31 6.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.95 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.32 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 72.22 110.868 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -54.25 -44.06 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.884 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.8 HG21 ' CE2' ' B' ' 553' ' ' TYR . 61.1 p -58.15 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 53.31 111.139 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.627 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.1 tptm -53.76 -43.38 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.858 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 96' ' ' LEU . 9.4 tt0 -60.87 -44.86 96.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.898 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.14 79.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 52.42 110.922 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.06 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.43 111.128 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 97' ' ' THR . 2.4 pp -54.86 -40.6 69.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.578 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -60.76 -47.72 85.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.158 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -29.61 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 70.44 110.9 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -74.49 -39.62 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 64.11 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -80.75 -43.59 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.483 . . . . 64.35 110.863 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.77 -37.8 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 74.32 110.878 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -134.98 73.05 66.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 73.3 110.844 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.7 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.642 2.228 . . . . 74.22 112.322 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.528 ' OE1' HD12 ' A' ' 115' ' ' LEU . 0.8 OUTLIER -51.34 -35.57 38.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 72.42 110.953 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -63.03 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.869 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 mmt -75.22 -23.79 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 62.3 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -84.09 -48.34 9.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 71.14 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.77 116.77 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 72.53 110.873 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.58 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 73.22 110.871 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.71 -36.22 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.664 ' OD2' HD21 ' A' ' 144' ' ' LEU . 32.1 t0 -58.04 -56.9 16.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.912 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -52.17 -42.42 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 62.45 110.837 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -57.9 -60.01 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 62.52 110.921 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -52.02 -40.38 60.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.711 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -64.59 -38.86 92.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.882 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.0 ttp -65.5 -58.87 4.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.92 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -51.89 -46.32 64.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 75.24 111.191 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.688 ' O ' HG13 ' A' ' 122' ' ' VAL . 7.4 tt0 -67.99 -41.41 82.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.596 ' O ' HD22 ' A' ' 123' ' ' LEU . 10.2 t80 -60.39 -26.14 66.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.891 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -84.76 -39.77 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 75.1 110.919 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -72.05 -31.28 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.901 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 118' ' ' GLU . 27.5 m -76.4 -13.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 71.34 111.162 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.796 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.55 -32.96 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.938 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.53 -31.59 15.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.2 tt0 -48.21 -60.13 4.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 64.13 110.887 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.4 Cg_endo -69.72 154.49 67.81 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.706 2.271 . . . . 61.24 112.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.7 -18.17 49.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 51.41 112.486 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.52 ' O ' HD23 ' A' ' 131' ' ' LEU . 74.6 m -83.17 50.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 75.43 110.862 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -56.24 -17.16 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 70.44 110.862 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -86.45 23.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 62.11 110.862 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.09 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -86.94 163.68 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 65.34 110.899 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.461 ' O ' HD12 ' A' ' 131' ' ' LEU . 5.7 m -62.48 140.68 58.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.926 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.734 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -59.26 -20.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.04 111.157 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -66.28 -37.22 84.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.734 ' HB2' HD13 ' A' ' 131' ' ' LEU . 31.6 mm-40 -73.0 -43.24 62.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 63.55 110.963 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.09 HG23 HD11 ' A' ' 131' ' ' LEU . 2.2 p -53.5 -55.74 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 52.25 111.164 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.32 -47.5 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 139' ' ' ALA . 4.5 tt -51.91 -52.33 50.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.965 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.477 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -61.69 -51.9 66.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 44.04 111.093 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.612 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.65 -40.12 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 73.32 111.113 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -65.29 -59.29 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -55.95 -35.77 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 65.25 110.838 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -68.78 -32.59 72.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.711 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.1 tp -61.85 -35.88 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 62.04 110.987 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -102.88 32.8 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 54.3 110.957 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -114.57 -63.58 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.138 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.912 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.793 0.33 . . . . 52.22 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -176.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 50.3 110.939 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.37 160.24 43.27 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 74.23 110.909 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -48.16 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.704 2.27 . . . . 74.43 112.301 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.4 pp -173.33 177.59 2.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.315 -0.402 . . . . 75.22 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.419 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -114.46 97.27 45.9 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.574 0.702 . . . . 73.11 111.137 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 524' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.5 Cg_endo -69.81 132.92 24.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.248 . . . . 71.15 112.36 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -150.51 154.58 37.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.825 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -163.26 169.69 18.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.21 111.161 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.02 104.44 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 74.31 110.842 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -115.13 -73.5 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 70.03 110.956 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 39.5 t -102.58 33.68 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.884 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.25 -34.81 38.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 75.24 111.119 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -92.94 140.65 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 63.14 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -123.56 134.5 53.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.944 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.54 149.73 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 70.53 111.158 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -81.14 176.95 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.955 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -95.24 114.59 26.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.889 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -138.9 148.55 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 62.32 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.56 128.62 10.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 74.01 110.866 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 121.5 44.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 44.23 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -139.49 174.43 10.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 63.32 111.064 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -145.16 124.77 13.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 74.22 110.922 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 39.2 t -174.68 165.49 3.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 54.44 110.906 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 145.07 -119.67 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 64.24 112.487 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.72 -31.62 17.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.837 0.351 . . . . 52.52 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.69 -31.91 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.54 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -53.13 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.832 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.5 pp -90.98 -28.66 17.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.877 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.02 -47.3 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 64.45 110.944 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.5 ptmt -49.92 -50.83 44.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.905 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.503 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.3 m95 -59.56 -61.41 2.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.913 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.627 HG21 ' HD2' ' A' ' 92' ' ' LYS . 59.6 t -52.08 -56.39 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 70.33 111.153 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -42.9 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.53 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.796 HG12 HD23 ' A' ' 123' ' ' LEU . 78.1 t -68.37 -39.7 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.21 111.085 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.8 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.36 -46.01 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 65.22 110.916 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.512 HD23 HG12 ' B' ' 550' ' ' VAL . 1.0 OUTLIER -79.17 -28.06 42.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.44 110.883 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.1 -32.91 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.858 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -32.48 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.879 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -58.85 -72.61 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.751 -0.738 . . . . 73.35 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.08 -57.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 71.33 110.963 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -171.05 179.28 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.54 155.91 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 50.04 111.078 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt -152.64 131.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 73.03 111.12 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.909 179.865 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.789 0.328 . . . . 74.2 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -57.95 120.42 8.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.855 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -150.36 169.16 22.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.894 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -109.56 51.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 45.25 110.821 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.6 159.29 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 73.54 111.107 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.0 m -97.76 145.86 25.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 65.05 110.898 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.6 171.73 15.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 70.1 110.881 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.12 153.84 34.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 52.35 110.832 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.8 t -124.32 170.56 10.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 34.1 110.883 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.64 63.42 4.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 71.44 111.087 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' ILE . 5.1 tp -126.19 117.4 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.144 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 p -125.49 132.19 52.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 61.02 110.885 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.2 t -174.6 172.82 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.859 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.05 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.52 110.858 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.2 tt -90.16 -34.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.109 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -71.2 -34.78 71.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 63.45 110.846 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.4 t -79.8 -36.41 37.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 44.32 110.948 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.87 -28.68 16.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -50.17 -28.21 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 70.52 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -49.17 -31.25 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 74.1 110.959 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -61.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 72.22 110.867 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.78 -45.85 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.903 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.782 HG21 ' CE2' ' B' ' 553' ' ' TYR . 82.4 p -59.17 -55.61 32.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 53.31 111.112 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.437 ' HG3' HD13 ' B' ' 546' ' ' LEU . 1.7 ttmt -51.59 -47.47 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 75.23 110.893 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HA ' HD21 ' A' ' 96' ' ' LEU . 33.6 tt0 -59.09 -44.75 91.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.916 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.72 -35.05 76.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 52.42 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.93 -60.89 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.085 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 97' ' ' THR . 2.5 pp -54.65 -38.16 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.883 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.584 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.5 p -64.04 -46.34 84.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -27.09 62.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.936 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.28 -35.06 36.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 64.11 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -83.66 -41.88 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.35 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.29 -37.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -135.21 72.35 66.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 73.3 110.811 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 78.16 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 74.22 112.292 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.459 HE21 HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -60.14 -35.03 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.947 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.29 -35.68 67.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.1 ttt -74.46 -23.42 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 62.3 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -73.55 -42.6 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 71.14 110.775 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.76 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.53 110.927 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -30.38 22.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.926 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.8 -39.57 43.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.842 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -51.9 -41.1 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.857 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -53.87 -61.44 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.45 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -53.25 -48.85 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 62.52 110.813 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.38 -48.21 74.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.746 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.1 tt -65.96 -36.4 83.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.35 110.875 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.6 ttp -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.897 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 5.0 t -60.22 -45.21 93.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.117 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.715 ' O ' HG13 ' A' ' 122' ' ' VAL . 22.2 mt-10 -64.22 -29.52 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 73.11 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.598 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 16.8 t80 -78.51 -30.26 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 75.54 110.888 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.443 ' HG3' HG11 ' B' ' 552' ' ' VAL . 4.2 mtpm? -81.6 -25.49 35.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.915 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.424 ' HG2' ' HA ' ' A' ' 118' ' ' GLU . 0.7 OUTLIER -84.88 -36.52 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.953 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 118' ' ' GLU . 27.2 m -70.37 -13.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 71.34 111.146 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.815 HD23 HG12 ' B' ' 552' ' ' VAL . 0.2 OUTLIER -83.5 -39.31 20.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.93 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.8 mt -93.13 -28.32 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.934 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -46.96 -60.39 3.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.72 . . . . 64.13 110.885 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.2 Cg_endo -69.65 160.17 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.721 2.28 . . . . 61.24 112.41 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.66 -22.16 37.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 51.41 112.456 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.492 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.5 m -84.49 49.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 75.43 110.773 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -14.48 7.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 70.44 110.918 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -85.03 23.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.962 HD11 HG23 ' A' ' 136' ' ' THR . 3.6 pp -88.13 160.86 17.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.907 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.61 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -56.57 165.98 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.857 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.709 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.3 tt -79.19 -19.19 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 72.04 111.165 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -67.38 -39.44 85.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.12 110.936 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.505 ' HB2' HD13 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -70.85 -44.12 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 63.55 110.91 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.962 HG23 HD11 ' A' ' 131' ' ' LEU . 1.4 p -52.31 -57.59 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 52.25 111.157 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.568 HD23 ' CE2' ' A' ' 119' ' ' PHE . 67.2 mt -63.39 -50.13 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.893 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.13 -45.02 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.829 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.36 -55.53 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 44.04 111.086 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.613 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -51.87 -42.41 62.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.077 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -63.47 -64.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.855 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.4 -30.89 42.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 65.25 110.9 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -77.22 -31.15 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.855 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 115' ' ' LEU . 57.4 tp -52.57 -35.26 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.948 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -99.61 -53.9 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 54.3 110.949 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.42 30.8 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.03 111.079 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 75.04 110.96 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.812 0.339 . . . . 52.22 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 21.9 mtt -133.23 150.44 51.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 50.3 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.59 158.45 1.52 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 74.23 110.836 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -47.8 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 74.43 112.398 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.39 176.29 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.873 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.415 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -119.91 97.11 49.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.602 0.715 . . . . 73.11 111.219 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 524' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 54.7 Cg_endo -69.68 152.29 69.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.719 2.28 . . . . 71.15 112.378 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -64.63 124.76 22.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.946 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -149.28 167.95 24.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 74.21 111.173 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 527' ' ' SER . . . . . 0.448 ' HB3' HG11 ' B' ' 530' ' ' VAL . 0.9 OUTLIER -75.79 105.79 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.829 -179.761 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -107.94 -74.99 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 70.03 110.89 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 8.3 t -107.5 34.14 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.846 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 530' ' ' VAL . . . . . 0.448 HG11 ' HB3' ' B' ' 527' ' ' SER . 7.5 p -70.36 138.99 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.168 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -58.29 172.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.14 110.913 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -161.88 149.7 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 72.53 110.884 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.28 126.08 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.137 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.48 -173.08 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 62.31 110.852 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -137.32 119.36 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.935 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -107.52 62.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 3.4 m -160.95 102.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.01 110.897 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 112.04 -147.87 18.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 44.23 112.427 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -131.95 167.18 20.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.311 . . . . 63.32 111.077 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -145.46 125.26 13.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.864 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 1.9 t -173.54 179.31 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 54.44 110.846 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -68.39 -32.05 75.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 64.24 112.505 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -89.04 -31.21 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 52.52 110.848 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -48.51 -32.17 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -49.85 -53.22 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.949 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.437 HD13 ' HG3' ' A' ' 92' ' ' LYS . 4.3 pp -90.65 -27.43 19.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.904 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -47.86 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 64.45 110.951 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.711 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.0 ptmt -49.32 -52.61 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.839 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.536 ' CH2' HD22 ' A' ' 115' ' ' LEU . 73.0 m95 -58.86 -61.42 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 72.04 110.911 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.51 HG12 HD23 ' B' ' 554' ' ' LEU . 59.2 t -51.05 -56.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 70.33 111.125 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -42.65 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 75.53 110.901 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.815 HG12 HD23 ' A' ' 123' ' ' LEU . 99.5 t -67.99 -40.68 83.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.102 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.782 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 65.22 110.93 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.51 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -79.95 -27.78 39.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 74.44 110.875 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -73.18 -33.51 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.873 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.22 -31.26 19.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.875 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.97 -73.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 73.35 112.525 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.8 -63.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 71.33 110.917 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -175.19 -172.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.862 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.15 156.7 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 50.04 111.072 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 10.0 pt -153.62 129.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.03 111.131 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 21.6 pttm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.908 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 41.7 mtt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.772 0.32 . . . . 74.2 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -85.17 162.7 19.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 71.45 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -150.08 126.31 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -174.5 137.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 45.25 110.884 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.47 160.95 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 73.54 111.057 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.5 p -71.51 161.52 30.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 65.05 110.892 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -170.34 113.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 70.1 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 m120 63.53 62.46 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 52.35 110.919 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -75.17 158.96 32.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 34.1 110.871 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -127.96 48.41 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 71.44 111.138 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.7 mt -121.89 117.67 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 74.14 111.186 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.9 t -57.52 -74.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 61.02 110.816 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.5 p -78.46 68.1 4.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.908 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -109.66 -169.46 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 73.52 110.865 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.521 HG22 ' HG2' ' A' ' 87' ' ' LYS . 3.5 mp -51.22 -33.67 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 74.14 111.159 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -50.72 -35.74 32.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 63.45 110.8 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.0 t -56.77 -43.95 81.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 44.32 110.851 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -85.0 -25.88 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.91 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 91' ' ' THR . 26.9 mmtt -50.94 -28.65 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 70.52 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -48.79 -32.17 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -61.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.909 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -57.02 -37.39 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.936 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.773 HG21 ' CE2' ' B' ' 553' ' ' TYR . 77.6 p -63.17 -56.69 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 53.31 111.149 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -44.55 72.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.851 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.454 ' HA ' HD21 ' A' ' 96' ' ' LEU . 24.8 tt0 -60.97 -44.54 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.894 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -62.9 -34.69 77.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 52.42 110.903 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.98 -59.5 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 72.43 111.11 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -56.07 -38.01 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.935 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.597 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -63.84 -46.66 84.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 75.23 111.187 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -25.7 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.886 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -81.57 -35.13 30.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 64.11 110.956 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -84.67 -35.51 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 64.35 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.38 -40.15 62.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -131.25 66.26 78.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 73.3 110.899 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 76.26 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.243 . . . . 74.22 112.372 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.733 ' OE1' HD12 ' A' ' 115' ' ' LEU . 9.1 pt20 -68.36 -34.3 75.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.42 110.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -54.63 -35.09 63.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.934 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.47 -23.44 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 62.3 110.909 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -46.8 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 71.14 110.847 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.89 144.68 37.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.899 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -83.82 -38.66 20.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.967 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.77 -37.63 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.925 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.14 -57.13 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 75.41 110.821 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -56.8 -50.79 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 62.45 110.9 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -52.89 -59.77 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 62.52 110.878 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.86 -41.94 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.766 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -64.91 -39.12 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.95 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.431 ' HE3' ' HE2' ' B' ' 548' ' ' LYS . 17.6 tpp -63.42 -58.98 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.923 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -53.18 -47.28 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.185 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.71 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.8 tt0 -66.09 -41.03 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.11 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.584 ' O ' HD13 ' A' ' 123' ' ' LEU . 12.0 t80 -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.498 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.4 mtpp -83.49 -31.61 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.867 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -32.99 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.869 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 118' ' ' GLU . 28.6 m -72.76 -13.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 71.34 111.075 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.842 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -83.89 -39.42 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.925 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.3 mt -91.81 -29.21 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.911 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 7.5 tt0 -46.76 -60.16 4.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 64.13 110.916 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 159.19 54.32 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.244 . . . . 61.24 112.352 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.1 -23.05 33.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 51.41 112.54 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.58 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.0 m -84.11 49.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 75.43 110.862 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -18.52 6.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.873 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -82.08 24.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 62.11 110.944 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.998 HD11 HG23 ' A' ' 136' ' ' THR . 3.7 pp -85.69 163.95 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 65.34 110.881 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.541 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.94 145.37 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.828 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.772 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -62.06 -19.92 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 72.04 111.16 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.51 -39.94 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 131' ' ' LEU . 32.7 mm-40 -71.53 -44.75 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 63.55 110.91 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.998 HG23 HD11 ' A' ' 131' ' ' LEU . 6.4 p -51.46 -59.68 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 52.25 111.195 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -48.7 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.938 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -51.08 -61.86 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 71.33 110.924 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.456 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -51.59 -53.27 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 44.04 111.085 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.86 -33.64 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.118 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -74.84 -64.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.15 -34.8 46.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.92 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -67.82 -33.61 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.869 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.766 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.9 tp -65.53 -35.29 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 62.04 110.869 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -104.38 34.47 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 54.3 110.937 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.43 140.23 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.03 111.092 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.861 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 19.7 m170 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.87 0.366 . . . . 52.22 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 6.6 ttp -170.88 173.94 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 50.3 110.927 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.21 160.19 72.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.659 0.743 . . . . 74.23 110.859 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.626 2.217 . . . . 74.43 112.396 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -173.33 -169.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 2.8 p -104.72 97.47 12.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 73.11 111.131 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 158.43 57.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 71.15 112.372 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -116.37 128.11 55.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.828 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -177.05 -178.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.08 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.76 149.52 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 74.31 110.831 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -111.67 -67.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 70.03 110.855 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.2 t -134.64 52.58 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.907 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.21 127.31 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 75.24 111.142 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.22 -175.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 63.14 110.914 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -154.47 148.0 25.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.871 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.5 pt -121.63 121.12 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 70.53 111.1 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 534' ' ' LEU . . . . . 0.43 HD12 ' O ' ' B' ' 535' ' ' LYS . 1.5 pp -82.12 149.64 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 62.31 110.954 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.43 ' O ' HD12 ' B' ' 534' ' ' LEU . 0.0 OUTLIER -90.3 147.04 23.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.898 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 536' ' ' GLN . . . . . 0.425 ' HG2' HD11 ' B' ' 534' ' ' LEU . 50.3 mt-30 -137.1 -170.16 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 62.32 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.3 m -135.8 -171.71 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 74.01 110.854 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -156.89 178.6 33.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 44.23 112.456 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -168.7 171.23 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 63.32 111.134 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -145.41 160.15 42.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.934 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 30.2 t -160.68 164.29 31.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 54.44 110.848 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 54.62 33.0 54.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 64.24 112.503 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.16 -33.32 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 52.52 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -48.49 -31.93 7.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 73.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.85 -53.8 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.911 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.18 -29.69 17.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.94 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -46.38 53.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 64.45 110.929 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.684 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.0 ptmt -51.1 -50.07 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -60.77 -62.29 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.991 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.1 t -51.2 -53.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 70.33 111.147 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -46.52 25.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 75.53 110.896 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.842 HG12 HD23 ' A' ' 123' ' ' LEU . 91.1 t -66.72 -33.51 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.112 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.773 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.15 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 65.22 110.903 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -87.69 -19.12 28.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.876 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -81.42 -34.43 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.9 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 556' ' ' ARG . . . . . 0.41 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.04 -28.39 62.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.04 110.915 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -69.27 -76.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 73.35 112.492 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.68 -75.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 71.33 110.945 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -147.56 -174.56 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 64.14 110.89 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.94 164.67 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 50.04 111.124 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.2 pt -152.92 132.7 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 73.03 111.132 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.875 179.877 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.721 0.296 . . . . 74.2 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -53.61 143.53 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.876 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -96.87 122.19 39.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 71.13 110.891 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.1 t -81.37 92.62 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 45.25 110.867 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.22 117.33 13.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 73.54 111.143 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -76.08 133.7 40.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 65.05 110.908 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -137.53 152.94 50.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 70.1 110.881 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -159.91 111.54 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 52.35 110.918 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.9 m -142.2 138.98 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 34.1 110.83 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.28 79.19 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 71.44 111.137 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.2 tp -126.92 -37.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.119 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.9 t -92.03 -36.28 13.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 61.02 110.887 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 t 63.15 40.07 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.892 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -156.33 119.95 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.845 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.4 mm -85.04 -35.9 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.134 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -54.25 -35.77 62.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 63.45 110.888 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.8 t -66.33 -48.86 68.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 44.32 110.884 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -51.68 -29.02 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.864 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 91' ' ' THR . 21.7 mmtp -51.21 -26.79 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 70.52 110.904 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.45 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.888 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -66.08 -61.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.864 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -54.85 -41.93 71.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.935 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.81 HG21 ' CE2' ' B' ' 553' ' ' TYR . 65.9 p -59.63 -54.17 49.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 53.31 111.146 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.673 ' HD2' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -54.23 -45.59 72.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 75.23 110.886 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 97' ' ' THR . 31.0 tt0 -59.81 -45.7 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.888 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.49 -33.97 76.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 52.42 110.943 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -60.52 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 72.43 111.173 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.629 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.4 pp -55.58 -40.63 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -59.96 -52.38 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.23 111.173 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -28.28 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.915 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -72.66 -47.22 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.91 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -74.96 -42.15 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 64.35 110.903 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -68.97 -36.45 77.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.937 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -137.89 73.73 45.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 73.3 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 107.64 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 74.22 112.336 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.546 ' OE1' HD12 ' A' ' 115' ' ' LEU . 7.8 tp60 -73.84 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.924 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.92 -35.58 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.935 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.4 tpt -75.89 -23.46 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 62.3 110.889 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -89.42 -44.62 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -156.36 105.57 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 72.53 110.842 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -51.73 -36.19 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 73.22 110.83 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -70.26 -41.2 73.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 73.11 110.928 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.651 ' OD2' HD21 ' A' ' 144' ' ' LEU . 11.9 t0 -62.04 -42.13 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.47 -48.85 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 62.45 110.913 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -60.26 -56.01 26.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 62.52 110.867 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.88 -43.94 63.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 72.44 110.898 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.716 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.61 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 72.35 110.901 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -61.84 -59.45 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 75.03 110.923 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.3 t -54.68 -47.22 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.24 111.159 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.705 ' O ' HG13 ' A' ' 122' ' ' VAL . 9.8 tp10 -65.05 -35.23 80.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.872 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.864 ' O ' HD23 ' A' ' 123' ' ' LEU . 7.9 t80 -68.93 -26.57 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 75.54 110.814 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -82.95 -30.15 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.949 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -81.52 -32.01 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.946 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 118' ' ' GLU . 35.0 m -72.43 -14.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 71.34 111.109 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 119' ' ' PHE . 2.1 mm? -80.55 -40.5 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.915 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -93.12 -29.45 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -43.89 -60.49 2.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.737 0.779 . . . . 64.13 110.963 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.74 158.34 57.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.684 2.256 . . . . 61.24 112.391 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.87 -16.55 56.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 51.41 112.501 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.7 m -81.79 51.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 75.43 110.842 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -21.98 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 70.44 110.837 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -86.4 24.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 62.11 110.878 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.685 HD11 HG22 ' A' ' 136' ' ' THR . 3.9 pp -82.32 164.56 21.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 65.34 110.927 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -75.3 146.53 40.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.794 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.655 HD13 ' HB ' ' A' ' 91' ' ' THR . 0.6 OUTLIER -56.11 -34.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 72.04 111.14 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.92 -35.52 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 75.12 110.931 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.653 ' HB2' HD13 ' A' ' 131' ' ' LEU . 5.9 mm100 -76.28 -34.73 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.55 110.951 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.685 HG22 HD11 ' A' ' 131' ' ' LEU . 18.2 p -59.53 -50.22 74.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 52.25 111.144 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.5 mt -74.08 -45.06 51.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.843 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 138' ' ' LEU . 10.4 tt -58.17 -45.34 87.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.841 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.05 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 44.04 111.07 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -55.91 -35.21 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.089 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -71.55 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.12 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -55.2 -37.08 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 65.25 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -66.24 -33.45 75.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.716 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.5 tp -63.75 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 62.04 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -104.51 34.02 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 54.3 110.893 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -101.63 -46.92 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.03 111.062 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 75.04 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 14.5 m170 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 52.22 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 8.0 mtt -136.81 146.93 46.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 50.3 110.916 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.52 158.56 1.44 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 74.23 110.885 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 521' ' ' PRO . . . . . 0.435 ' HB2' HD23 ' B' ' 522' ' ' LEU . 53.2 Cg_endo -69.86 -48.3 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.646 2.23 . . . . 74.43 112.319 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 522' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' B' ' 521' ' ' PRO . 0.7 OUTLIER -174.65 173.41 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 75.22 110.947 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.408 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -129.1 97.22 26.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.523 0.677 . . . . 73.11 111.138 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 524' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.4 Cg_endo -69.73 -176.18 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.733 2.289 . . . . 71.15 112.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -168.95 173.88 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 74.23 110.898 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -154.25 -179.39 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 74.21 111.085 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.75 115.41 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.829 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.52 -166.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 70.03 110.831 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 29.5 m -68.33 84.44 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.864 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 97.1 t -121.19 -37.56 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 75.24 111.1 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -53.35 152.2 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 63.14 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -152.92 167.21 29.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.895 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -142.19 149.52 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 70.53 111.102 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.5 pp -82.52 134.8 35.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 62.31 110.874 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -148.18 123.58 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.878 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -151.82 143.79 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.32 110.913 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.3 147.37 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 74.01 110.85 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 177.79 149.45 7.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 44.23 112.45 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -175.51 167.76 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 63.32 111.04 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -145.22 122.86 11.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.924 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.74 153.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 54.44 110.916 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -104.38 29.19 12.4 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.792 -0.718 . . . . 64.24 112.511 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -90.37 -33.95 15.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 52.52 110.849 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.22 -31.62 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.877 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -49.29 -53.08 23.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 75.25 110.935 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.15 -29.13 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.921 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -47.6 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 64.45 110.882 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -48.92 -50.51 34.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.831 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.598 ' CH2' HD22 ' A' ' 115' ' ' LEU . 63.4 m95 -60.39 -60.86 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 72.04 110.973 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.673 HG21 ' HD2' ' A' ' 92' ' ' LYS . 60.3 t -52.83 -57.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.164 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -37.97 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.39 -42.56 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.151 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.81 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.3 -41.25 88.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.97 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.7 pp -83.65 -27.63 28.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.96 -33.68 66.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.894 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 556' ' ' ARG . . . . . 0.734 ' CD ' HD12 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -84.05 -31.99 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 73.04 110.854 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.16 -70.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 73.35 112.508 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -144.76 -49.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 71.33 110.944 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -169.78 178.55 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.14 110.9 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.36 161.69 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 50.04 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt -152.22 133.28 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 73.03 111.193 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.885 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.788 0.328 . . . . 74.2 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.67 142.54 57.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 71.45 110.835 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -114.79 145.02 42.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 71.13 110.836 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 p -84.63 164.43 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.482 . . . . 45.25 110.885 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -114.68 157.65 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.54 111.128 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.6 t 56.48 39.53 29.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 65.05 110.892 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.76 152.85 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 70.1 110.91 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -174.21 131.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 52.35 110.862 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.17 125.31 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 34.1 110.925 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.63 92.53 7.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 71.44 111.048 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.5 mt -147.01 113.19 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.14 111.136 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 p -70.85 -74.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 61.02 110.814 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -66.92 97.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.827 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -170.48 -178.79 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.838 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 tp -51.34 -32.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 74.14 111.1 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -51.42 -35.28 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 63.45 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 t -64.17 -45.02 90.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 44.32 110.878 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.82 -27.99 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 91' ' ' THR . 31.6 mmtm -50.78 -27.34 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 70.52 110.879 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.96 -31.49 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -67.85 -58.97 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.907 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.16 -39.52 72.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.871 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.772 HG21 ' CE2' ' B' ' 553' ' ' TYR . 70.0 p -63.12 -54.95 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 53.31 111.112 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.539 ' HD2' HG21 ' B' ' 550' ' ' VAL . 3.5 tptm -53.19 -48.77 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 75.23 110.955 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 97' ' ' THR . 9.5 tt0 -59.34 -44.99 92.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.862 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -61.01 -34.25 74.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 52.42 110.945 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.43 111.022 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.599 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.6 pp -54.47 -35.21 62.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.91 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.503 ' N ' HD12 ' A' ' 96' ' ' LEU . 18.2 p -67.4 -44.92 77.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 75.23 111.183 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.3 63.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.847 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -84.12 -33.8 24.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 64.11 110.779 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -82.72 -37.04 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.06 -40.04 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 74.32 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -127.86 66.05 69.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 73.3 110.821 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 75.81 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.616 2.211 . . . . 74.22 112.361 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -81.12 -30.64 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.421 ' HE1' HD13 ' A' ' 115' ' ' LEU . 7.8 m-85 -70.41 -25.86 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.899 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -23.06 59.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 62.3 110.876 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.19 -34.62 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 71.14 110.853 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -131.91 94.15 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.804 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -67.58 -41.46 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.928 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.66 -40.46 60.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.862 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 -40.55 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.844 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -51.84 -48.79 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.922 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.85 -57.32 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 62.52 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -52.78 -44.69 66.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.84 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.71 HD12 HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.57 -36.49 84.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 72.35 110.967 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.1 ttp -63.98 -59.25 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.93 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -54.34 -46.85 72.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.24 111.124 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.733 ' O ' HG13 ' A' ' 122' ' ' VAL . 29.0 mt-10 -65.06 -42.23 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.914 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 16.7 t80 -61.22 -28.96 69.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.54 110.874 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.453 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.3 mtpt -81.8 -31.81 31.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.1 110.929 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -33.83 37.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 118' ' ' GLU . 20.3 m -73.16 -14.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 71.34 111.136 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.821 HD23 HG12 ' B' ' 552' ' ' VAL . 0.2 OUTLIER -82.77 -34.41 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.919 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.33 -28.12 17.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.954 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.3 tp10 -47.81 -59.79 5.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.681 0.753 . . . . 64.13 110.928 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.78 154.28 67.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 61.24 112.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.37 -15.41 57.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 51.41 112.469 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.492 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.6 p -83.03 49.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 75.43 110.809 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -18.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.893 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -88.42 24.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 62.11 110.839 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.096 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -87.16 163.28 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 65.34 110.905 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -62.86 140.75 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.812 -179.866 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.79 HD12 ' CG ' ' B' ' 553' ' ' TYR . 8.4 tt -58.94 -20.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 72.04 111.128 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -37.5 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.12 110.94 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.721 ' HB2' HD13 ' A' ' 131' ' ' LEU . 30.9 mm-40 -71.95 -43.71 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.55 110.818 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.096 HG23 HD11 ' A' ' 131' ' ' LEU . 1.3 p -53.49 -57.14 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 52.25 111.166 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.51 -49.71 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.936 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.22 -46.61 62.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.33 110.921 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.412 ' HB1' ' HE ' ' A' ' 143' ' ' ARG . . . -63.76 -49.2 73.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 44.04 111.067 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.17 -37.66 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 73.32 111.191 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -68.67 -61.83 1.65 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.13 -0.486 . . . . 71.12 110.897 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.66 -39.9 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 65.25 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.412 ' HE ' ' HB1' ' A' ' 139' ' ' ALA . 4.0 mtt180 -64.14 -33.78 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.21 110.877 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.71 HD22 HD12 ' A' ' 115' ' ' LEU . 9.6 tp -63.92 -35.66 81.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 62.04 110.863 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -105.47 34.63 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 54.3 110.882 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.49 117.92 22.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.089 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.04 110.967 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 64.0 m170 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.857 0.36 . . . . 52.22 110.845 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 4.5 ptp -160.32 178.8 9.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 50.3 110.937 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.81 160.17 78.86 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.657 0.742 . . . . 74.23 110.874 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -44.54 2.03 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.669 2.246 . . . . 74.43 112.311 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.8 179.31 8.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.892 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -122.78 97.26 44.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.597 0.713 . . . . 73.11 111.113 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 173.56 10.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 71.15 112.383 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -141.97 150.66 41.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.868 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -135.02 -179.47 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.108 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 4.9 p -86.92 128.72 35.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.8 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -118.07 -73.62 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.497 . . . . 70.03 110.86 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 81.7 p -114.41 50.0 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.836 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 57.4 t -110.32 133.53 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 75.24 111.157 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.17 178.17 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 63.14 110.847 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -163.05 150.4 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 72.53 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.4 pt -120.56 126.7 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 70.53 111.083 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 534' ' ' LEU . . . . . 0.424 ' O ' HD12 ' B' ' 534' ' ' LEU . 3.3 pp -52.96 128.57 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 62.31 110.887 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -112.67 86.69 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -130.7 70.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.32 110.859 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.8 p -179.44 136.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.882 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -77.62 -34.0 41.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.741 . . . . 44.23 112.517 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -100.88 173.02 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 63.32 111.147 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -145.25 124.35 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.867 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 1.2 p -169.89 160.93 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 54.44 110.899 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 104.77 34.07 3.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 64.24 112.479 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -90.04 -32.03 16.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.867 0.365 . . . . 52.52 110.871 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -49.04 -31.74 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.896 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.62 -52.0 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.95 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -91.94 -29.3 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.934 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.21 -45.51 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.972 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.684 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -50.73 -51.73 47.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.849 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.531 ' CH2' HD22 ' A' ' 115' ' ' LEU . 75.2 m95 -60.46 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 72.04 110.901 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.539 HG21 ' HD2' ' A' ' 92' ' ' LYS . 59.2 t -50.44 -54.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.112 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -45.43 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.821 HG12 HD23 ' A' ' 123' ' ' LEU . 97.0 t -67.16 -35.7 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.121 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.79 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -60.67 -44.55 96.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 65.22 110.89 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.25 -25.84 29.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -74.8 -33.46 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.25 110.864 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -32.12 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.04 110.859 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -57.92 -77.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 73.35 112.507 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -132.69 -50.46 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 71.33 110.928 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -174.89 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.897 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.84 159.81 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 50.04 111.081 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.7 pt -152.31 137.21 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.03 111.169 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 19.4 pttt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.841 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.822 0.344 . . . . 74.2 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -75.66 153.56 37.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 71.45 110.877 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -97.93 135.31 39.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 71.13 110.87 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.3 m -84.99 167.06 16.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 45.25 110.839 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.51 126.37 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 73.54 111.133 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 p -111.66 78.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 65.05 110.833 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -81.29 163.85 22.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 70.1 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -134.97 -58.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 52.35 110.821 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 m -136.27 145.5 45.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 34.1 110.869 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.61 37.1 4.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 71.44 111.046 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.8 mt -93.33 -39.93 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.14 111.132 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.8 p -81.28 89.55 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.896 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -52.8 144.74 13.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 74.11 110.891 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.5 m -143.38 108.13 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.818 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.433 HD12 ' H ' ' A' ' 83' ' ' ILE . 5.4 mp -82.14 -37.86 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 74.14 111.14 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -52.22 -35.74 50.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 63.45 110.848 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -66.93 -40.28 87.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 44.32 110.863 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -51.76 -29.21 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.868 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 91' ' ' THR . 59.4 mmtt -51.36 -26.4 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 70.52 110.898 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.47 7.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 74.1 110.928 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -66.31 -61.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.908 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.6 -42.22 67.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.41 110.978 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.795 HG21 ' CE2' ' B' ' 553' ' ' TYR . 68.9 p -60.74 -52.54 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 53.31 111.211 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.407 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.5 tptp -53.85 -47.12 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.969 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HA ' HD21 ' A' ' 96' ' ' LEU . 3.2 tt0 -60.18 -44.44 95.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.933 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -62.82 -34.4 77.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 52.42 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -60.97 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.109 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.62 -38.65 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.92 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.604 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.5 p -63.01 -48.12 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.176 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -25.9 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.831 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -80.02 -35.24 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 64.11 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.04 -37.13 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 64.35 110.914 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -74.68 -36.56 62.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -133.23 68.09 77.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 73.3 110.794 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 73.58 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 74.22 112.34 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.51 -34.85 51.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.93 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -53.33 -31.52 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 72.42 110.908 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.0 ttm -86.78 -23.59 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 62.3 110.893 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -78.73 -44.87 22.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.87 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -156.09 114.14 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.53 110.824 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -51.76 -35.3 43.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 73.22 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.15 -40.94 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 73.11 110.87 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.29 -37.26 69.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.78 -49.17 66.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.32 -49.65 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 72.44 110.948 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.746 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.23 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.922 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 75.03 110.951 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.8 t -55.95 -45.31 78.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.24 111.124 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.719 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.8 tt0 -65.59 -42.77 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 73.11 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.68 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 18.9 t80 -61.37 -29.29 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.894 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.413 ' HG3' HG11 ' B' ' 552' ' ' VAL . 16.0 mtpt -82.0 -32.9 30.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 75.1 110.899 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -78.72 -34.41 45.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.898 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 118' ' ' GLU . 21.7 m -73.3 -16.47 17.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 71.34 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.793 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -81.14 -36.38 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.921 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.9 mt -92.07 -7.86 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.973 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -65.49 -60.54 7.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 64.13 110.903 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.71 158.8 55.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 61.24 112.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.29 -19.87 44.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 51.41 112.485 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.3 m -82.9 50.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 75.43 110.858 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -51.93 -20.89 2.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 70.44 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -85.36 24.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.929 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.141 HD11 HG23 ' A' ' 136' ' ' THR . 4.0 pp -84.69 164.02 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 65.34 110.937 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.493 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -62.02 140.64 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.84 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.798 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.5 tt -59.59 -20.53 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 72.04 111.111 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -66.45 -38.08 86.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.937 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.736 ' HB2' HD13 ' A' ' 131' ' ' LEU . 8.0 mm100 -71.04 -44.46 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 63.55 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.141 HG23 HD11 ' A' ' 131' ' ' LEU . 1.8 p -53.46 -58.33 7.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 52.25 111.141 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.427 HD23 ' CE2' ' A' ' 119' ' ' PHE . 48.4 mt -62.68 -49.36 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.896 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.42 -47.37 63.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.67 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 44.04 111.087 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -54.95 -40.2 69.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 73.32 111.109 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -64.38 -63.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.867 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.13 -38.42 65.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.436 . . . . 65.25 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -64.44 -33.74 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.2 tp -64.82 -35.09 79.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.944 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.61 HE21 HD23 ' A' ' 144' ' ' LEU . 9.5 mp0 -104.62 34.17 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 54.3 110.932 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -91.39 111.06 22.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.099 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.944 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.829 0.347 . . . . 52.22 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.55 20.7 12.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 50.3 110.838 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -81.3 156.59 71.33 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.677 0.751 . . . . 74.23 110.798 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -47.64 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.279 . . . . 74.43 112.334 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.29 172.17 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.874 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.404 HG23 ' O ' ' B' ' 523' ' ' THR . 1.8 t -122.05 97.3 45.88 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.59 0.709 . . . . 73.11 111.135 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.91 26.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.626 2.217 . . . . 71.15 112.308 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -129.46 166.21 20.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.815 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -153.75 161.65 41.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.21 111.085 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 75.68 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.31 110.896 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -86.42 -72.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 70.03 110.829 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 13.5 m -100.95 50.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.829 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.66 133.64 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 75.24 111.127 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -146.61 -178.05 5.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 63.14 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -172.46 156.82 3.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 72.53 110.856 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 533' ' ' ILE . . . . . 0.524 ' O ' HD12 ' B' ' 533' ' ' ILE . 1.2 pp -145.29 160.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 70.53 111.147 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 534' ' ' LEU . . . . . 0.654 ' C ' HD22 ' B' ' 534' ' ' LEU . 0.0 OUTLIER -51.24 169.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 62.31 110.906 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.545 ' N ' HD22 ' B' ' 534' ' ' LEU . 4.5 mmmm -124.42 123.76 40.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.921 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.49 169.6 8.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 62.32 110.935 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 2.6 m -138.46 -68.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.864 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -158.52 -166.0 16.83 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.716 -0.754 . . . . 44.23 112.501 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -144.87 169.13 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 63.32 111.047 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -145.09 -175.07 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.884 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 3.2 t -176.7 119.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 54.44 110.909 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 93.18 -36.41 3.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 64.24 112.455 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -89.56 -30.42 18.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 52.52 110.836 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -48.46 -32.04 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.54 110.878 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -52.45 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -91.9 -30.65 16.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.895 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 547' ' ' GLN . . . . . 0.474 ' N ' HD12 ' B' ' 546' ' ' LEU . 0.5 OUTLIER -51.8 -46.25 64.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 64.45 110.936 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.702 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.1 ptmt -49.81 -51.38 40.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.868 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -59.53 -61.74 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.407 HG21 ' HD2' ' A' ' 92' ' ' LYS . 57.5 t -51.39 -55.75 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 70.33 111.108 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.06 -43.3 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.793 HG12 HD23 ' A' ' 123' ' ' LEU . 85.5 t -67.91 -38.17 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 73.21 111.129 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.798 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -59.25 -45.74 90.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 65.22 110.943 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -81.28 -27.03 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.66 -32.96 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.906 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.39 -32.12 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 73.04 110.874 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.42 -76.91 0.2 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 73.35 112.496 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -65.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 71.33 110.833 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -162.2 -176.38 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 64.14 110.87 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -69.21 154.98 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 50.04 111.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.3 pt -152.83 132.03 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.08 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.921 179.826 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.8 0.333 . . . . 74.2 110.852 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.88 155.91 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 71.45 110.932 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -141.39 144.42 34.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.858 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -114.63 129.28 56.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 45.25 110.846 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.86 -44.74 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.54 111.083 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -98.81 80.24 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 65.05 110.858 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -33.29 75.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 70.1 110.859 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 179.61 175.58 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 52.35 110.918 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -113.93 146.31 40.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 34.1 110.866 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -106.73 66.17 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 71.44 111.177 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 79' ' ' ILE . 11.4 tt -119.66 117.0 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.171 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.26 -175.5 4.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 61.02 110.8 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.83 -36.81 8.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.515 . . . . 74.11 110.881 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -38.83 59.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 73.52 110.86 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 tp -51.96 -33.83 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.125 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -54.76 -35.5 63.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 63.45 110.948 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t -76.44 -43.59 39.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 44.32 110.86 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -51.55 -29.44 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 72.23 110.909 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.33 -26.27 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 70.52 110.91 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -48.43 -32.24 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 74.1 110.922 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -68.27 -55.75 11.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -55.39 -46.33 76.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.807 ' HB ' HD13 ' A' ' 133' ' ' ILE . 48.9 p -60.34 -51.44 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 53.31 111.179 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HD3' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -52.48 -50.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.933 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -58.76 -44.44 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.895 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.61 -34.68 77.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 52.42 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.72 -60.82 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.43 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 97' ' ' THR . 2.4 pp -54.84 -39.84 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.41 110.881 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.598 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.4 p -61.47 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.173 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -26.9 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.841 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -76.36 -42.79 43.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 64.11 110.849 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.0 -43.04 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 64.35 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -69.04 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -138.01 73.97 44.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.528 0.68 . . . . 73.3 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.03 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 74.22 112.364 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.526 ' OE1' HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -60.78 -36.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.42 110.937 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -67.87 -36.0 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.933 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 30.8 tpp -74.62 -23.71 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 62.3 110.939 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -86.94 -48.19 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.902 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -156.25 139.12 15.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 72.53 110.803 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -71.75 -36.56 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 73.22 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.22 -39.88 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.462 ' OD2' HD21 ' A' ' 144' ' ' LEU . 9.5 t70 -54.66 -52.63 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.845 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.31 -51.27 62.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 62.45 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -57.47 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 62.52 110.901 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -52.1 -42.5 63.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.917 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.727 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.85 -38.03 89.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.869 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -64.46 -58.93 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.6 t -53.59 -46.19 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 75.24 111.151 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.729 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.7 mm-40 -66.52 -42.19 87.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.656 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 19.3 t80 -60.26 -29.27 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.889 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.429 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.6 mtpt -82.71 -33.59 27.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.1 110.873 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.77 -33.33 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 75.21 110.928 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 118' ' ' GLU . 19.8 m -74.72 -16.43 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.34 111.075 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.789 HD23 HG12 ' B' ' 552' ' ' VAL . 0.4 OUTLIER -81.21 -35.52 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.902 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.39 -7.74 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -66.01 -60.75 6.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 64.13 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.74 158.65 56.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.737 2.291 . . . . 61.24 112.332 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.21 -19.54 45.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 51.41 112.468 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.544 ' O ' HD23 ' A' ' 131' ' ' LEU . 15.0 m -83.14 50.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 75.43 110.828 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -51.64 -20.98 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 70.44 110.898 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -85.78 24.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 62.11 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.08 HD11 HG23 ' A' ' 136' ' ' THR . 4.0 pp -84.75 163.88 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.952 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -63.27 141.0 58.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.904 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.807 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.4 tt -58.87 -20.91 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 72.04 111.175 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -64.54 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.948 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.76 ' HB2' HD13 ' A' ' 131' ' ' LEU . 33.0 mm-40 -72.15 -45.98 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 63.55 110.939 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.08 HG23 HD11 ' A' ' 131' ' ' LEU . 3.0 p -51.64 -56.34 14.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 52.25 111.131 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.42 HD23 ' CE2' ' A' ' 119' ' ' PHE . 64.9 mt -65.42 -45.99 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 73.04 110.887 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 139' ' ' ALA . 3.0 tt -51.76 -53.31 41.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 71.33 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.467 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -62.55 -48.09 81.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 44.04 111.139 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.69 -34.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.078 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -72.48 -61.37 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -55.67 -33.95 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 65.25 110.882 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -68.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.834 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.727 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.1 tp -64.42 -35.47 81.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 62.04 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.37 34.07 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 54.3 110.971 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -98.59 119.04 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.086 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 75.04 110.917 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 52.1 t60 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.796 0.332 . . . . 52.22 110.834 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.39 164.91 11.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 50.3 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.0 160.2 3.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 74.23 110.843 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -44.83 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 74.43 112.367 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.91 179.98 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 75.22 110.938 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.405 HG23 ' O ' ' B' ' 523' ' ' THR . 1.8 t -123.42 97.19 42.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.519 0.676 . . . . 73.11 111.146 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.31 66.34 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.658 2.238 . . . . 71.15 112.365 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.62 158.51 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.884 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -131.14 138.7 49.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 74.21 111.134 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.97 178.2 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.838 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -154.7 125.91 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 70.03 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 1.7 t 50.45 31.68 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.848 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 10.7 p -93.18 142.24 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 75.24 111.127 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -144.07 142.06 30.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 63.14 110.934 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -170.52 133.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.875 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.9 149.51 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 70.53 111.119 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 534' ' ' LEU . . . . . 0.658 ' C ' HD22 ' B' ' 534' ' ' LEU . 0.0 OUTLIER -51.2 169.33 0.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 62.31 110.93 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.555 ' N ' HD22 ' B' ' 534' ' ' LEU . 33.4 mtmt -128.56 89.88 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.888 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -143.47 -176.42 4.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 62.32 110.871 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 58.4 m -57.85 159.24 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.869 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -81.08 59.74 4.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.735 . . . . 44.23 112.478 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -174.96 170.5 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 63.32 111.121 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -145.16 124.42 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.943 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.24 162.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 54.44 110.897 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -149.73 33.87 1.06 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 64.24 112.485 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.14 -34.88 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 52.52 110.911 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -44.86 -32.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -47.79 -56.4 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.966 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.565 HD12 ' N ' ' B' ' 547' ' ' GLN . 4.4 pp -92.27 -32.93 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.914 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 547' ' ' GLN . . . . . 0.565 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.4 tt0 -50.4 -46.48 56.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.45 110.898 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.704 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.7 ptmt -49.38 -51.42 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.547 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.1 m95 -59.0 -60.23 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.896 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.536 HG12 HD23 ' B' ' 554' ' ' LEU . 58.2 t -51.93 -55.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 70.33 111.117 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -46.25 -41.45 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.789 HG12 HD23 ' A' ' 123' ' ' LEU . 89.4 t -68.89 -39.09 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.21 111.116 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.793 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -60.91 -45.54 94.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.998 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.536 HD23 HG12 ' B' ' 550' ' ' VAL . 0.8 OUTLIER -78.83 -27.69 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 74.44 110.948 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.63 -32.93 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.887 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.84 -32.39 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.885 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.18 -74.66 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 73.35 112.497 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -136.97 -49.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 71.33 110.949 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.49 174.23 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.889 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.1 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 50.04 111.122 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt -152.68 130.52 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 73.03 111.091 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.935 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.762 0.315 . . . . 74.2 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.04 127.1 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 71.45 110.861 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -100.55 102.05 13.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.804 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -59.17 152.89 19.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 45.25 110.856 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -141.74 135.99 30.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 73.54 111.086 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.2 t -88.32 96.93 10.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.05 110.899 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tttt 59.43 97.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 70.1 110.921 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -76.33 -178.71 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 52.35 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 m -103.44 140.5 37.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 34.1 110.833 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.42 112.25 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 71.44 111.035 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.9 mt -136.31 81.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 74.14 111.152 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 p -158.06 161.34 38.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 61.02 110.888 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 p -115.01 36.39 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 74.11 110.818 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.8 m -92.28 61.02 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.874 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 55.6 mt -62.19 -40.4 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.14 111.114 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -41.57 81.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.45 110.885 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.84 -40.35 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 44.32 110.921 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -53.59 -27.43 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.595 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -50.53 -27.83 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 70.52 110.874 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.95 -31.48 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.964 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.38 -61.58 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.939 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.72 -38.11 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.764 HG21 ' CE2' ' B' ' 553' ' ' TYR . 63.5 p -62.39 -55.82 24.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 53.31 111.147 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.0 tptm -55.12 -43.13 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.912 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HA ' HD21 ' A' ' 96' ' ' LEU . 40.3 tt0 -61.43 -45.29 94.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.41 110.872 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.97 -34.64 77.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 52.42 110.88 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.9 -60.68 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 72.43 111.09 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.76 -38.86 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 71.41 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.593 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.4 p -62.84 -48.02 80.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 75.23 111.136 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.699 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -70.92 -26.9 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 70.44 110.918 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -79.11 -37.65 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 64.11 110.894 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -81.92 -36.71 27.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 64.35 110.922 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.96 -39.44 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -132.13 67.63 79.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 73.3 110.878 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.41 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.736 2.291 . . . . 74.22 112.377 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -36.84 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.42 110.965 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.99 -33.39 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.902 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.2 mtt -74.61 -23.61 58.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 62.3 110.866 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -87.25 -46.46 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 71.14 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.81 117.66 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.883 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -55.67 -36.63 67.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.03 -58.75 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -52.05 -46.86 65.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 62.45 110.907 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.56 -59.2 4.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.927 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -51.78 -43.71 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 72.44 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.775 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -64.08 -38.17 90.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.35 110.9 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.22 -59.93 4.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.03 110.894 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.1 t -52.78 -47.09 67.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.191 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.718 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.6 tm-20 -65.92 -41.15 91.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.852 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.566 ' O ' HD13 ' A' ' 123' ' ' LEU . 8.0 t80 -62.39 -24.9 67.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.462 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.2 mtpp -84.45 -35.53 22.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.96 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -77.17 -31.14 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.964 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 118' ' ' GLU . 25.3 m -74.8 -13.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 71.34 111.122 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.84 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.68 -35.08 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 74.02 110.929 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.31 -29.72 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.977 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.6 tt0 -47.99 -60.21 4.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.668 0.747 . . . . 64.13 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.9 Cg_endo -69.73 154.62 67.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 61.24 112.389 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.67 -15.69 56.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 51.41 112.518 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.495 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.9 m -82.23 49.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 75.43 110.844 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.89 -19.83 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.902 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -86.58 24.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 62.11 110.865 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.08 HD11 HG23 ' A' ' 136' ' ' THR . 4.4 pp -87.33 161.3 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 65.34 110.928 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.417 ' O ' HD12 ' A' ' 131' ' ' LEU . 1.8 m -62.37 140.39 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.877 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.762 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.5 tt -58.23 -20.81 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 72.04 111.154 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.43 -36.21 82.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.12 110.924 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.72 ' HB2' HD13 ' A' ' 131' ' ' LEU . 30.7 mm-40 -73.45 -43.34 60.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.905 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.08 HG23 HD11 ' A' ' 131' ' ' LEU . 1.4 p -53.29 -55.44 24.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 52.25 111.167 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 98' ' ' PHE . 4.8 tp -66.78 -48.8 67.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.929 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.88 -50.33 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.31 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 44.04 111.067 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.567 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.49 -42.01 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.113 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -66.43 -62.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 71.12 110.917 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.19 -35.13 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 65.25 110.864 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.5 mtt-85 -69.2 -32.96 72.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.775 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.8 tp -62.7 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.934 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -104.78 33.73 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 54.3 110.905 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.45 -176.38 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.146 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.428 . . . . 75.04 110.877 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.834 0.349 . . . . 52.22 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 40.6 mtt -132.13 174.97 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 50.3 110.812 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.29 160.21 76.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 74.23 110.848 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.645 2.23 . . . . 74.43 112.337 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.11 -168.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 75.22 110.867 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.411 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 2.5 p -104.53 97.82 13.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.592 0.711 . . . . 73.11 111.144 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 524' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.4 Cg_endo -69.72 176.14 7.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 71.15 112.318 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 18.3 t70 59.15 56.63 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.834 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -122.25 54.13 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 74.21 111.132 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 65.8 p -164.28 149.18 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -121.16 -72.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 70.03 110.886 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 95.1 p -131.55 46.94 2.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.864 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 88.4 t -112.86 132.64 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 75.24 111.068 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -152.59 161.71 42.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 63.14 110.868 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 532' ' ' ASN . . . . . 0.468 ' O ' HG23 ' B' ' 533' ' ' ILE . 3.2 p-10 -135.16 120.3 18.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.53 110.922 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 533' ' ' ILE . . . . . 0.508 ' O ' HD12 ' B' ' 533' ' ' ILE . 1.2 pp -157.98 163.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 70.53 111.144 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 534' ' ' LEU . . . . . 0.479 ' H ' HD23 ' B' ' 534' ' ' LEU . 1.4 pt? -59.17 165.97 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.31 110.93 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -86.72 77.28 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.912 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -107.34 -32.91 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 62.32 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.65 32.22 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.01 110.883 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 117.26 157.36 10.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 44.23 112.447 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -102.19 161.51 13.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 63.32 111.113 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -122.22 126.28 47.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.951 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 8.0 t -179.28 111.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 54.44 110.825 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.09 -44.5 2.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 64.24 112.484 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -89.9 -31.25 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 52.52 110.848 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -48.79 -31.93 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.832 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -52.89 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.923 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.5 pp -91.14 -29.1 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.932 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -46.19 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.886 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.9 ptmt -51.2 -50.66 58.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.859 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -60.01 -62.22 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.889 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.577 HG21 ' HD2' ' A' ' 92' ' ' LYS . 52.9 t -51.36 -54.0 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.178 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -43.84 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.9 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.84 HG12 HD23 ' A' ' 123' ' ' LEU . 96.0 t -68.62 -35.67 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 73.21 111.131 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.764 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.61 -43.99 93.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 65.22 110.874 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -85.27 -26.67 26.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.864 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -73.48 -33.46 64.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.865 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -31.74 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.883 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.91 -80.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 73.35 112.51 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -131.43 -50.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 71.33 110.921 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.83 -169.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -63.91 163.73 11.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 50.04 111.102 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt -152.97 131.86 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.133 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.844 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 60.1 mtp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.764 0.316 . . . . 74.2 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -76.77 127.64 33.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.849 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 53.86 45.7 27.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 71.13 110.858 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 t 53.45 54.43 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 45.25 110.84 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -168.12 143.59 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 73.54 111.113 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.8 m -120.63 134.99 55.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 65.05 110.907 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -83.44 126.27 32.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 70.1 110.839 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -176.26 -178.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 52.35 110.915 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -60.4 115.63 3.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 34.1 110.847 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.2 109.29 21.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 71.44 111.093 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.3 mt -117.6 70.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.5 t -102.03 174.65 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 61.02 110.819 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.2 t -133.82 -41.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.862 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -95.27 36.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 73.52 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.5 tt -85.01 -34.44 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 74.14 111.106 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -53.6 -34.0 56.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 63.45 110.89 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.2 m -50.75 -38.25 46.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 44.32 110.873 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -85.19 -30.16 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.869 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -25.47 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 70.52 110.904 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.23 -32.32 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -67.91 -55.17 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.939 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -54.18 -44.37 71.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.913 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.808 HG21 ' CE2' ' B' ' 553' ' ' TYR . 32.2 p -62.77 -49.86 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 53.31 111.138 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.668 ' HG3' HD11 ' B' ' 546' ' ' LEU . 1.7 tptm -52.98 -49.94 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.895 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 96' ' ' LEU . 83.8 tt0 -61.45 -45.16 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.901 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.42 -34.54 76.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 52.42 110.884 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.59 ' HB3' HD12 ' B' ' 546' ' ' LEU . . . -68.09 -60.48 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.195 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' B' ' 546' ' ' LEU . 2.9 pp -54.99 -38.07 67.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.927 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.597 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -64.0 -46.87 82.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.148 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -26.13 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.848 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -80.82 -35.0 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.892 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -84.56 -36.86 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.919 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -74.45 -38.56 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -132.72 67.3 78.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 73.3 110.848 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 74.22 112.331 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.09 -40.82 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -56.06 -34.17 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.915 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 tpt -74.49 -23.53 58.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 62.3 110.949 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -87.5 -40.13 14.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -156.2 103.98 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.823 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -51.26 -39.49 56.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 73.22 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.66 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 73.11 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.79 -46.3 91.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -52.28 -47.97 65.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 62.45 110.85 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.13 -59.67 4.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 62.52 110.891 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -52.39 -41.6 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.947 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.754 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.83 -39.36 93.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.35 110.872 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.51 -58.87 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.905 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.5 t -53.56 -46.75 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 75.24 111.141 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.71 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.5 tp10 -65.99 -41.89 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.576 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.1 t80 -62.12 -27.79 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.864 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.517 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.6 mtpp -83.13 -31.51 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.1 110.906 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -80.8 -33.64 34.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 75.21 110.861 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 118' ' ' GLU . 26.8 m -72.07 -14.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 71.34 111.178 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.85 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -82.81 -41.81 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.892 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.6 tp -93.14 -8.44 42.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.846 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.5 tp10 -64.78 -60.71 7.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 64.13 110.864 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.75 164.99 32.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 61.24 112.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -21.01 39.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.68 -0.772 . . . . 51.41 112.41 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.511 ' O ' HD23 ' A' ' 131' ' ' LEU . 64.0 m -83.48 49.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 75.43 110.852 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -21.95 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 70.44 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.17 24.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 62.11 110.819 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.072 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -82.14 163.75 21.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.9 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.483 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.62 141.67 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.861 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.715 HD13 ' HB ' ' A' ' 91' ' ' THR . 2.0 tt -59.6 -20.24 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 72.04 111.119 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -65.68 -36.99 85.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 131' ' ' LEU . 29.8 mm-40 -73.94 -43.18 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.935 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.072 HG23 HD11 ' A' ' 131' ' ' LEU . 3.4 p -53.2 -52.12 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 52.25 111.109 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 119' ' ' PHE . 61.0 mt -69.28 -50.01 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.04 110.935 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.65 -51.91 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 71.33 110.99 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.09 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 44.04 111.087 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -54.0 -35.0 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.089 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -71.73 -62.76 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 71.12 110.804 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.83 -36.39 62.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 65.25 110.899 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -65.25 -34.09 77.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.754 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.6 tp -64.54 -36.38 84.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 62.04 110.922 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.42 33.29 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 54.3 110.944 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.95 111.56 23.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.074 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.907 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.815 0.34 . . . . 52.22 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.66 154.09 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 50.3 110.871 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.87 160.28 58.55 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.666 0.746 . . . . 74.23 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -45.27 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.633 2.222 . . . . 74.43 112.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.81 178.45 9.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 75.22 110.973 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -121.21 97.05 47.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.522 0.677 . . . . 73.11 111.212 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 524' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.8 Cg_endo -69.67 169.02 19.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.642 2.228 . . . . 71.15 112.363 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -161.2 160.5 30.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.895 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -173.91 163.44 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.21 111.059 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.45 179.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.856 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -136.89 -65.22 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 70.03 110.936 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 9.8 t -95.81 33.08 1.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.88 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 6.3 p -73.53 142.08 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 75.24 111.108 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.95 174.05 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 63.14 110.932 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -149.25 144.72 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 72.53 110.853 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.05 135.66 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 70.53 111.122 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 534' ' ' LEU . . . . . 0.496 ' H ' HD23 ' B' ' 534' ' ' LEU . 1.3 pt? -62.1 -173.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 62.31 110.982 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 115.65 14.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 72.41 110.912 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -133.51 158.34 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 62.32 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 5.6 t -174.68 -178.62 1.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 74.01 110.797 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -175.53 179.45 46.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 44.23 112.443 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -155.52 166.9 32.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.299 . . . . 63.32 111.098 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -145.97 -174.95 4.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 74.22 110.961 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 5.1 t -179.61 158.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 54.44 110.896 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 106.62 -102.8 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.797 -0.716 . . . . 64.24 112.529 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 543' ' ' ASP . . . . . 0.696 ' O ' HD23 ' B' ' 546' ' ' LEU . 0.2 OUTLIER -86.8 -14.37 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.378 . . . . 52.52 110.919 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -45.53 -30.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.853 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -48.36 -57.32 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.25 110.956 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.696 HD23 ' O ' ' B' ' 543' ' ' ASP . 1.4 pt? -91.72 -30.09 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.864 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.38 -46.56 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 64.45 110.928 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.687 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.0 ptmt -49.89 -51.26 41.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 74.23 110.875 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.595 ' CH2' HD22 ' A' ' 115' ' ' LEU . 68.9 m95 -59.42 -60.43 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 72.04 110.87 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 77.1 t -51.38 -53.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 70.33 111.14 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -41.77 29.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.53 110.871 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.85 HG12 HD23 ' A' ' 123' ' ' LEU . 87.2 t -70.33 -33.66 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.21 111.122 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.808 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -63.92 -40.76 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 65.22 110.937 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.82 -26.36 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.901 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.8 -34.4 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.9 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 556' ' ' ARG . . . . . 0.663 ' NH1' HG21 ' A' ' 136' ' ' THR . 0.0 OUTLIER -70.99 -29.01 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.895 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -62.09 -80.08 0.12 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.747 . . . . 73.35 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.66 -76.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 71.33 110.923 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -95.43 -166.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 64.14 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -126.58 163.77 22.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 50.04 111.086 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.6 pt -152.55 140.02 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.157 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 7.0 mttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.835 179.86 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.7 ttm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.784 0.326 . . . . 74.2 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.03 162.72 25.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 71.45 110.856 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -162.63 160.83 26.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.84 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.25 -172.59 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 45.25 110.861 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.2 170.69 15.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 73.54 111.082 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -162.44 -179.28 6.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 65.05 110.792 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -175.63 128.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 70.1 110.916 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -178.43 142.86 0.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 52.35 110.845 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.57 113.89 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 34.1 110.887 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -148.33 101.8 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 71.44 111.112 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.82 HG23 ' HB2' ' B' ' 558' ' ' GLN . 4.3 mp -137.18 95.13 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 74.14 111.118 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.8 p -179.28 161.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 61.02 110.914 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.31 118.4 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.501 . . . . 74.11 110.803 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.3 m -161.42 -173.97 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.848 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 mp -50.74 -31.21 9.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.14 111.126 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -50.28 -33.67 20.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 63.45 110.891 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.9 m -54.0 -34.39 59.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 44.32 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.893 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -51.57 -25.81 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 70.52 110.963 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -47.71 -32.54 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 74.1 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -59.59 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 72.22 110.867 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -55.91 -47.67 77.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.881 HG22 HG21 ' A' ' 133' ' ' ILE . 80.8 p -58.28 -54.65 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 53.31 111.155 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.14 63.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.88 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' HA ' HD21 ' A' ' 96' ' ' LEU . 42.4 tt0 -61.12 -44.9 96.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 74.41 110.884 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.14 -34.78 77.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 52.42 110.817 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 72.43 111.169 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.93 -38.37 67.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.913 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -63.31 -47.32 82.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 75.23 111.182 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.78 -26.49 62.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 70.44 110.855 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -79.89 -35.63 37.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 64.11 110.831 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -84.38 -36.5 22.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.35 110.901 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -74.15 -39.86 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -132.08 67.18 78.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.612 0.72 . . . . 73.3 110.874 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.74 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.697 2.265 . . . . 74.22 112.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.1 -28.18 69.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.42 110.94 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -71.28 -28.04 63.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 16.1 mtp -74.1 -23.48 59.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.911 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.36 -35.84 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 71.14 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.7 m -150.13 126.77 10.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.865 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -77.45 -36.96 52.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.875 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.41 -39.61 85.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 73.11 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.574 ' OD2' HD21 ' A' ' 144' ' ' LEU . 4.2 t70 -57.04 -48.78 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.904 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -54.71 -40.8 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 62.45 110.897 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.25 -59.91 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 62.52 110.859 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -52.58 -41.05 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.871 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 72.35 110.914 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -65.07 -58.56 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 75.03 110.911 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -53.12 -46.51 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 75.24 111.143 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.9 tt0 -67.2 -39.81 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.915 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.599 ' O ' HD22 ' A' ' 123' ' ' LEU . 16.3 t80 -62.71 -28.16 69.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 75.54 110.77 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.436 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.7 mtpt -83.75 -33.83 24.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 75.1 110.914 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.95 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 118' ' ' GLU . 32.6 m -74.17 -14.4 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 71.34 111.128 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.823 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.42 -37.46 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.942 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.37 -29.28 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.959 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.2 tp10 -47.29 -59.93 4.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 64.13 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.73 156.38 63.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 61.24 112.385 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.36 -20.15 42.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 51.41 112.475 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.462 ' O ' HD23 ' A' ' 131' ' ' LEU . 65.4 m -85.51 47.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 75.43 110.82 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -15.37 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 70.44 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -73.62 -3.86 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.841 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.006 HD11 HG23 ' A' ' 136' ' ' THR . 3.7 pp -64.17 159.44 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.926 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.64 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -59.47 168.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.914 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.881 HG21 HG22 ' A' ' 91' ' ' THR . 7.4 tt -79.18 -20.07 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 72.04 111.126 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -66.95 -38.88 86.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.457 ' HB2' HD13 ' A' ' 131' ' ' LEU . 1.3 mt-30 -71.13 -39.47 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 63.55 110.881 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.006 HG23 HD11 ' A' ' 131' ' ' LEU . 1.2 p -59.94 -58.36 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 52.25 111.145 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -61.77 -44.66 96.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.945 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 138' ' ' LEU . 8.2 tt -58.42 -51.78 68.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.947 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.27 -53.43 57.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 44.04 111.04 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -51.93 -52.13 52.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.104 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -53.22 -59.32 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 71.12 110.87 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -55.62 -36.52 67.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 65.25 110.869 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -66.77 -33.46 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 72.21 110.825 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.72 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.1 tp -64.8 -36.33 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 62.04 110.949 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.431 HE21 ' HB2' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -104.59 34.75 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 54.3 110.965 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -92.86 -38.53 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 73.03 111.082 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 75.04 110.896 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 10.4 m170 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.811 0.338 . . . . 52.22 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.9 156.16 49.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 50.3 110.869 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.23 157.5 22.9 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 74.23 110.87 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -47.88 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 74.43 112.359 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 522' ' ' LEU . . . . . 0.416 HD12 ' N ' ' B' ' 523' ' ' THR . 3.3 pp -171.94 -179.35 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.907 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.416 ' N ' HD12 ' B' ' 522' ' ' LEU . 1.8 t -111.19 97.22 34.26 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 73.11 111.12 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -172.82 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 71.15 112.316 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.78 115.32 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.828 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -158.2 103.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.21 111.127 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 2.8 p 46.35 83.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 74.31 110.844 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -96.05 -73.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 70.03 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 1.2 t -98.94 36.33 1.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.907 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 95.9 t -115.66 143.91 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.24 111.082 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -79.89 140.38 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 63.14 110.897 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -142.0 165.08 28.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.88 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.97 -176.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 70.53 111.132 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 534' ' ' LEU . . . . . 0.657 ' C ' HD22 ' B' ' 534' ' ' LEU . 0.0 OUTLIER -51.21 169.29 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 62.31 110.867 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.541 ' N ' HD22 ' B' ' 534' ' ' LEU . 11.7 mtpp -142.88 158.53 43.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.983 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -151.62 -179.48 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 62.32 110.873 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 39.1 t -174.68 170.01 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.878 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 128.56 119.2 2.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 44.23 112.515 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -164.75 162.76 21.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 63.32 111.1 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.2 m0 -121.97 130.35 53.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.943 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.36 164.02 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 54.44 110.891 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -167.49 -48.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 64.24 112.482 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.83 -31.53 17.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 52.52 110.811 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -48.98 -32.05 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.889 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -49.58 -52.63 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -91.07 -29.09 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 71.42 110.948 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -47.5 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.973 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.718 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.4 ptmt -49.25 -52.0 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.86 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.557 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.9 m95 -59.28 -61.43 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.04 110.93 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.555 HG12 HD23 ' B' ' 554' ' ' LEU . 59.0 t -51.56 -56.45 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 70.33 111.164 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -44.97 -43.49 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.823 HG12 HD23 ' A' ' 123' ' ' LEU . 94.4 t -67.38 -40.26 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 73.21 111.169 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.805 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 65.22 110.912 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.555 HD23 HG12 ' B' ' 550' ' ' VAL . 1.1 pp -78.78 -27.82 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.861 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.06 -33.34 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.895 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -31.02 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.908 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -68.43 -37.03 85.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 73.35 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.82 ' HB2' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -162.03 -75.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 71.33 110.823 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 559' ' ' GLU . . . . . 0.453 ' CD ' HG22 ' A' ' 79' ' ' ILE . 7.3 pt-20 -160.1 -174.28 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.81 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.54 154.15 42.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 50.04 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 561' ' ' ILE . . . . . 0.427 HG12 HD13 ' B' ' 554' ' ' LEU . 14.8 pt -152.6 131.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.112 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 26.2 mttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 74.43 110.85 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.6 mtm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.821 0.343 . . . . 74.2 110.917 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -61.82 160.85 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.896 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -127.98 50.6 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.851 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 p -119.5 94.69 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 45.25 110.828 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.5 118.34 9.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 73.54 111.091 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.5 p -117.7 123.93 47.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 65.05 110.817 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 164.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 70.1 110.909 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -138.56 158.99 43.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.422 . . . . 52.35 110.919 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -160.54 170.93 19.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 34.1 110.854 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.02 35.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 71.44 111.069 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -112.85 -28.95 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.127 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.5 t -164.72 141.26 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 61.02 110.809 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -93.24 173.19 7.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.88 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.2 68.5 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.789 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.22 -34.82 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.14 111.094 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -51.43 -44.12 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 63.45 110.866 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 p -74.9 -34.47 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 44.32 110.884 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.12 -28.62 18.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -27.24 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 70.52 110.903 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.75 -31.51 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 74.1 110.92 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -67.87 -58.57 4.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.886 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.918 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.901 HG22 HG21 ' A' ' 133' ' ' ILE . 71.9 p -58.14 -53.58 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 53.31 111.086 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.466 ' HE2' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -51.35 -49.39 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 75.23 110.901 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -58.21 -48.3 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.884 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.02 -35.42 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 52.42 110.923 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.83 -60.66 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.096 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 97' ' ' THR . 2.7 pp -56.1 -37.34 69.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.9 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.607 ' N ' HD12 ' A' ' 96' ' ' LEU . 20.2 p -63.53 -48.15 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.114 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -27.38 62.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 70.44 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -78.25 -36.28 47.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 64.11 110.897 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -83.46 -40.26 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 64.35 110.885 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -71.42 -37.72 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.807 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -134.29 71.0 72.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.56 0.695 . . . . 73.3 110.879 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 83.79 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 74.22 112.367 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.48 83.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.96 -32.47 70.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.937 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.8 mtt -74.71 -23.51 58.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 62.3 110.881 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -88.42 -45.62 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.09 117.44 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.869 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -51.75 -35.68 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.9 -41.56 78.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.11 110.864 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -52.69 -59.02 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 75.41 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.88 -48.9 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 62.45 110.937 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.96 -59.72 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 62.52 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -51.78 -42.12 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.783 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -63.58 -39.41 94.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.974 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.2 ttt -64.04 -60.73 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -50.77 -46.93 59.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.138 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.695 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.2 tp10 -67.05 -39.37 86.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.848 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.609 ' O ' HD13 ' A' ' 123' ' ' LEU . 9.7 t80 -62.06 -28.31 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.864 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -84.05 -34.32 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 75.1 110.927 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -76.72 -32.87 58.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 75.21 110.905 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.7 m -74.78 -14.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 71.34 111.122 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.783 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -84.52 -37.64 21.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 74.02 110.909 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 53.7 mt -92.21 -29.6 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.933 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.3 tp10 -47.23 -60.3 4.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 64.13 110.879 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 158.31 57.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 61.24 112.379 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.54 -21.7 36.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 51.41 112.428 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -86.27 48.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 75.43 110.904 -179.768 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -57.83 -16.38 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 70.44 110.857 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -74.26 -1.23 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.923 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 136' ' ' THR . 3.8 pp -63.77 163.82 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 65.34 110.952 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.511 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -67.69 152.36 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.869 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.901 HG21 HG22 ' A' ' 91' ' ' THR . 3.1 tt -64.79 -20.11 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 72.04 111.107 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.932 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.563 ' HB2' HD13 ' A' ' 131' ' ' LEU . 2.1 mt-30 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 63.55 110.924 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.718 ' HB ' HD11 ' A' ' 123' ' ' LEU . 28.2 p -51.0 -52.46 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 52.25 111.116 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -38.53 63.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.04 111.006 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 138' ' ' LEU . 0.3 OUTLIER -56.77 -46.7 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 71.33 110.903 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.82 -48.48 37.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 44.04 111.04 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.19 -38.07 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 73.32 111.078 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -72.82 -57.27 4.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.841 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HG3' HD12 ' A' ' 138' ' ' LEU . 14.8 mm-40 -56.0 -34.45 65.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 65.25 110.906 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -69.98 -32.7 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.21 110.888 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.783 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.0 tp -63.21 -34.75 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 62.04 110.924 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.52 33.5 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 54.3 110.911 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.23 -179.62 3.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.103 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.95 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 52.22 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 21.1 mtp -117.03 164.5 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 50.3 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.14 160.13 83.55 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.537 0.684 . . . . 74.23 110.899 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.67 -47.68 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.738 2.292 . . . . 74.43 112.373 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.42 176.2 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 75.22 110.894 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 523' ' ' THR . . . . . 0.402 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 0.9 OUTLIER -123.2 97.2 43.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 73.11 111.093 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 524' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.3 Cg_endo -69.79 161.15 47.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.597 2.198 . . . . 71.15 112.357 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -77.43 156.09 31.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.895 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -124.65 41.68 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.21 111.094 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 86.3 p -164.44 134.16 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.844 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -131.67 -74.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.914 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 4.9 t -103.05 33.82 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.882 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.23 144.72 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 75.24 111.049 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -153.19 -179.89 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 63.14 110.884 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -163.55 150.54 12.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.4 124.4 72.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 70.53 111.185 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 3.1 pp -59.59 129.67 43.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 62.31 110.903 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -100.03 87.11 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.875 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -122.17 108.04 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.32 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 4.8 p -165.0 150.29 9.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.01 110.858 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 111.28 33.86 2.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 44.23 112.513 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -157.19 168.32 27.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 63.32 111.112 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -145.62 155.45 43.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.913 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 24.7 t -176.7 160.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 54.44 110.916 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 97.52 -77.3 0.64 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 64.24 112.507 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.02 -34.41 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 52.52 110.854 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.81 -31.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 73.54 110.864 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -47.61 -57.47 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.857 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 547' ' ' GLN . 4.6 pp -92.0 -32.58 15.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 71.42 110.948 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 547' ' ' GLN . . . . . 0.56 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.0 OUTLIER -49.0 -46.16 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.928 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 548' ' ' LYS . . . . . 0.658 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.8 ptmt -50.68 -49.89 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 74.23 110.904 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 549' ' ' TRP . . . . . 0.453 ' CH2' HD22 ' A' ' 115' ' ' LEU . 67.2 m95 -59.27 -59.56 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 72.04 110.943 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.466 HG21 ' HE2' ' A' ' 92' ' ' LYS . 43.3 t -53.45 -55.23 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 70.33 111.1 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -46.27 -42.28 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.839 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 552' ' ' VAL . . . . . 0.783 HG12 HD23 ' A' ' 123' ' ' LEU . 97.6 t -71.17 -36.85 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.155 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 553' ' ' TYR . . . . . 0.776 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.22 -45.06 92.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 65.22 110.979 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 560' ' ' ALA . 0.6 OUTLIER -81.58 -28.4 33.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.968 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.61 -32.81 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.918 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.894 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.76 -74.45 0.32 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.749 . . . . 73.35 112.472 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -136.74 -48.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.731 0.3 . . . . 71.33 110.91 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -174.71 176.83 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 64.14 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 560' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' B' ' 554' ' ' LEU . . . -66.2 160.33 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 50.04 111.095 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt -153.01 131.22 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.03 111.135 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.97 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.805 0.336 . . . . 44.32 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -52.09 -28.5 17.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -50.31 -27.8 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.98 -31.35 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.887 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.22 -61.27 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.883 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -56.49 -45.77 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.41 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.781 HG21 ' CE2' ' B' ' 553' ' ' TYR . 58.0 p -58.74 -55.48 34.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 53.31 111.118 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.44 ' HG3' HD13 ' B' ' 546' ' ' LEU . 10.4 ttmt -53.01 -43.67 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.915 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 96' ' ' LEU . 53.2 tt0 -61.11 -45.38 94.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.899 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -62.36 -34.69 77.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 52.42 110.908 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.66 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.124 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.88 -38.57 67.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.923 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.591 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.0 p -63.11 -47.52 82.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 75.23 111.147 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -26.99 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.86 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -79.45 -35.65 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.72 -39.03 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 64.35 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.15 -38.81 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.856 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -133.6 69.61 76.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 73.3 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 73.27 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.743 2.295 . . . . 74.22 112.393 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.54 ' OE1' HD12 ' A' ' 115' ' ' LEU . 6.1 tt0 -53.29 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 72.42 110.873 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -54.68 -34.24 62.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 72.42 110.945 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.4 tpt -78.84 -23.67 44.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 62.3 110.876 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -80.62 -47.9 13.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 71.14 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.54 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.874 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -30.06 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 73.22 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.21 -37.74 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 73.11 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.69 -59.1 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.83 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -51.86 -40.09 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 62.45 110.902 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -60.14 -59.94 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 62.52 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -52.39 -40.68 62.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.743 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -64.52 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.967 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.3 ttt -64.63 -58.89 5.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.921 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -52.45 -46.78 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 75.24 111.132 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.689 ' O ' HG13 ' A' ' 122' ' ' VAL . 36.2 mt-10 -67.43 -38.89 85.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.861 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.616 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 21.2 t80 -61.73 -29.76 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 75.54 110.861 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HG3' HG11 ' B' ' 552' ' ' VAL . 23.1 mtpt -83.14 -34.95 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 75.1 110.977 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -75.5 -33.83 60.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 75.21 110.972 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.1 m -74.91 -14.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 71.34 111.141 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.796 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.06 -33.08 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.896 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.38 -30.82 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.907 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -48.5 -60.24 4.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 64.13 110.855 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.3 Cg_endo -69.76 154.02 68.24 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.686 2.257 . . . . 61.24 112.336 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.62 -18.45 48.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 51.41 112.506 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 131' ' ' LEU . 18.8 m -82.67 50.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 75.43 110.811 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -54.95 -17.95 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 70.44 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -85.81 24.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 62.11 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.096 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -86.74 163.96 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 65.34 110.931 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.505 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -62.28 140.37 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.858 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.76 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.9 tt -59.56 -20.16 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 72.04 111.14 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.93 -37.02 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.899 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.737 ' HB2' HD13 ' A' ' 131' ' ' LEU . 28.8 mm-40 -72.96 -42.92 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 63.55 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.096 HG23 HD11 ' A' ' 131' ' ' LEU . 2.1 p -53.67 -55.66 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 52.25 111.067 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -46.34 74.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -53.11 47.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.896 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.1 94.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 44.04 111.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.596 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -60.19 -32.95 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.143 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -74.33 -62.71 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 71.12 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -35.11 48.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -68.45 -33.26 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.84 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.743 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.6 tp -63.11 -35.52 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 62.04 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.725 HE21 HD23 ' A' ' 144' ' ' LEU . 9.3 mp0 -103.89 33.69 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 54.3 110.898 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.016 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 52.52 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.87 -31.79 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.904 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -49.79 -53.26 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.97 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -90.66 -28.93 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.927 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -47.75 57.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.872 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.68 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.55 -50.56 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.952 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.54 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.5 m95 -59.55 -61.07 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.987 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.649 HG12 HD23 ' B' ' 554' ' ' LEU . 60.8 t -52.3 -56.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.119 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -42.73 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.918 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.796 HG12 HD23 ' A' ' 123' ' ' LEU . 70.1 t -67.98 -40.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 73.21 111.105 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.781 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.44 -45.72 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.924 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.649 HD23 HG12 ' B' ' 550' ' ' VAL . 1.1 pp -77.34 -27.13 52.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.897 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.848 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -32.71 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.862 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.73 -69.21 1.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 73.35 112.489 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.83 -49.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.723 0.297 . . . . 71.33 110.853 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -174.35 164.4 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 64.14 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.8 162.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 50.04 111.063 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.2 pt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.147 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.765 0.317 . . . . 44.32 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -85.13 -30.57 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.913 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -51.71 -26.47 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 70.52 110.866 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.44 -31.5 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 74.1 110.919 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -61.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -54.76 -43.04 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.927 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.787 HG21 ' CE2' ' B' ' 553' ' ' TYR . 72.0 p -60.24 -55.43 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 53.31 111.138 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.445 ' HG3' HD13 ' B' ' 546' ' ' LEU . 0.3 OUTLIER -52.15 -46.63 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.23 110.868 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 97' ' ' THR . 3.0 tt0 -60.27 -45.29 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.943 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.03 -34.12 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 52.42 110.923 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.41 -60.7 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 72.43 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.602 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -55.19 -37.99 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.896 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.602 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -63.51 -48.75 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 75.23 111.175 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -25.73 62.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.822 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -80.3 -36.94 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 64.11 110.892 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.22 -36.29 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 64.35 110.902 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.34 -39.23 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.849 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -132.14 67.17 78.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 73.3 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 104.13 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.759 2.306 . . . . 74.22 112.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -36.21 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 72.42 110.884 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -60.94 -32.52 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.917 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.0 tpt -76.64 -23.66 53.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 62.3 110.886 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.69 -48.54 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.924 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.33 127.44 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 72.53 110.909 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -36.06 78.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.956 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.72 -42.4 97.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.512 ' OD2' HD21 ' A' ' 144' ' ' LEU . 3.6 t0 -58.54 -58.87 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -47.62 72.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -52.49 -59.76 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 62.52 110.829 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.36 -41.53 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.919 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.732 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.35 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 72.35 110.924 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.2 ttm -65.17 -58.98 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 75.03 110.84 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -52.76 -46.08 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 75.24 111.139 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.6 tp10 -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.875 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.6 ' O ' HD22 ' A' ' 123' ' ' LEU . 17.4 t80 -61.42 -29.27 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.857 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.415 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.7 mtpp -83.86 -35.26 24.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.942 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -75.44 -33.86 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.21 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.6 m -73.97 -14.83 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.34 111.169 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.81 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -84.92 -37.03 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 74.02 110.905 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.2 mt -92.29 -29.8 16.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.987 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.14 -60.04 4.53 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.615 0.722 . . . . 64.13 110.908 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 61.24 112.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 -19.45 46.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 51.41 112.54 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.475 ' O ' HD23 ' A' ' 131' ' ' LEU . 20.9 m -84.38 49.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 75.43 110.916 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -57.09 -17.46 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 70.44 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.83 23.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 62.11 110.882 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.767 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.3 pp -84.67 165.13 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 65.34 110.864 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.7 m -65.25 140.45 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.834 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.576 HG21 HG22 ' A' ' 91' ' ' THR . 1.0 OUTLIER -55.06 -32.01 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 72.04 111.129 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -52.37 -36.47 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.927 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 131' ' ' LEU . 26.9 mm-40 -76.26 -38.86 55.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 63.55 110.929 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.674 ' HB ' HD11 ' A' ' 123' ' ' LEU . 23.0 p -54.65 -50.73 67.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 52.25 111.128 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.515 HD23 ' CE2' ' A' ' 119' ' ' PHE . 79.4 mt -74.06 -48.59 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.911 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.3 tt -51.77 -47.29 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 71.33 110.931 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.25 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 44.04 111.085 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.99 -36.44 39.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.32 111.079 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.55 -59.39 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 71.12 110.811 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -54.55 -35.15 62.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 65.25 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -68.7 -33.12 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.913 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.733 HD23 HE21 ' A' ' 145' ' ' GLN . 13.9 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 62.04 110.841 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.733 HE21 HD23 ' A' ' 144' ' ' LEU . 9.4 mp0 -105.58 33.87 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 54.3 110.877 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.03 111.126 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.833 0.349 . . . . 52.52 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -48.72 -32.01 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -49.79 -52.93 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.86 -28.8 17.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.981 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.33 62.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 64.45 110.903 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.695 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.5 ptmt -49.82 -51.19 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.922 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.548 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.8 m95 -59.03 -60.95 3.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.834 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.409 HG12 HD23 ' B' ' 554' ' ' LEU . 45.9 t -52.43 -56.03 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 70.33 111.118 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -45.52 -40.98 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.81 HG12 HD23 ' A' ' 123' ' ' LEU . 84.7 t -70.26 -39.45 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.087 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.787 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.06 -44.92 87.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.947 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.409 HD23 HG12 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -80.93 -28.63 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.872 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.73 -33.09 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.861 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -33.07 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.862 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.28 -70.61 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 73.35 112.512 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -139.01 -49.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.706 0.288 . . . . 71.33 110.876 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -174.78 176.49 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.14 110.842 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.99 157.27 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 50.04 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.8 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.143 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.757 0.313 . . . . 44.32 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -55.05 -25.39 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.909 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -49.52 -29.37 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 70.52 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.65 -31.16 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -70.02 -61.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.923 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -54.03 -45.87 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.919 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.802 HG21 ' CE2' ' B' ' 553' ' ' TYR . 69.0 p -61.64 -55.85 26.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 53.31 111.187 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.08 -45.92 64.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 75.23 110.874 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 97' ' ' THR . 36.5 tt0 -60.63 -45.63 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.878 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -61.4 -34.29 75.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 52.42 110.907 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.85 -60.77 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 72.43 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.86 -37.0 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.897 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.1 p -64.99 -47.42 77.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.23 111.082 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.3 62.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 70.44 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -81.42 -35.06 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 64.11 110.868 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -83.65 -36.83 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 64.35 110.853 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.46 -39.88 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.855 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -129.93 66.85 78.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 73.3 110.903 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 74.22 112.359 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.02 -35.97 82.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -58.5 -33.79 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.923 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.3 tpp -74.3 -23.63 59.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 62.3 110.851 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -86.95 -42.37 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 71.14 110.854 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 110.87 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.877 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.57 -39.2 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.11 -35.99 82.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -56.48 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.34 -39.49 57.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 62.45 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.16 -58.36 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 62.52 110.873 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -52.64 -42.86 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.925 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.726 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.1 tt -64.54 -37.49 87.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 72.35 110.946 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.76 -59.11 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.3 t -53.0 -46.02 68.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.154 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.703 ' O ' HG13 ' A' ' 122' ' ' VAL . 32.0 mt-10 -67.83 -39.88 83.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.614 ' O ' HD22 ' A' ' 123' ' ' LEU . 20.8 t80 -60.53 -29.75 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 75.54 110.907 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HG3' HG11 ' B' ' 552' ' ' VAL . 11.3 mtpp -83.73 -35.51 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.888 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -74.91 -33.5 62.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.904 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 118' ' ' GLU . 24.7 m -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.121 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.798 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -83.51 -37.58 22.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.962 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.9 mt -92.11 -8.1 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.926 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 2.7 tt0 -66.78 -60.38 6.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.615 0.721 . . . . 64.13 110.915 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.79 158.84 55.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.622 2.215 . . . . 61.24 112.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.45 -17.28 53.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 51.41 112.425 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.485 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.5 m -84.69 49.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 75.43 110.881 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -53.3 -20.55 4.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.927 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -85.26 23.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 62.11 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.2 pp -84.12 165.17 18.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 65.34 110.932 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.7 m -66.48 140.71 58.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.903 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.612 HD12 ' CG ' ' B' ' 553' ' ' TYR . 1.1 tt -55.06 -33.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 72.04 111.124 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.42 -35.88 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.884 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.754 ' HB2' HD13 ' A' ' 131' ' ' LEU . 34.7 mm-40 -75.68 -39.66 57.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 63.55 110.869 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.683 ' HB ' HD11 ' A' ' 123' ' ' LEU . 22.0 p -55.14 -51.44 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 52.25 111.123 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' A' ' 119' ' ' PHE . 78.3 mt -72.14 -49.95 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.889 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.22 -44.36 64.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.936 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.24 -56.02 10.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 44.04 111.093 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.573 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.23 -40.65 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.041 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.43 -64.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -53.06 -30.06 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 65.25 110.907 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -77.61 -31.27 52.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.887 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.726 HD22 ' HG ' ' A' ' 115' ' ' LEU . 40.7 tp -52.5 -35.13 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 62.04 110.937 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -96.89 -54.49 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 54.3 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.093 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.835 0.35 . . . . 52.52 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.57 -32.13 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.862 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -49.62 -53.31 24.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.74 -28.51 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.856 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.955 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.4 ptmt -49.51 -51.22 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.879 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.551 ' CH2' HD22 ' A' ' 115' ' ' LEU . 69.8 m95 -59.25 -61.05 2.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 72.04 110.955 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.493 HG12 HD23 ' B' ' 554' ' ' LEU . 58.7 t -52.06 -56.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 70.33 111.136 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -45.41 -41.49 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.53 110.847 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.798 HG12 HD23 ' A' ' 123' ' ' LEU . 69.2 t -68.92 -39.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.128 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.802 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.72 -45.38 92.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 65.22 110.914 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.493 HD23 HG12 ' B' ' 550' ' ' VAL . 1.4 pp -78.77 -27.77 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.9 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.42 -33.1 62.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.847 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -32.69 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 73.04 110.892 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.54 -72.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 73.35 112.462 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -138.14 -48.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 71.33 110.869 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -174.65 171.49 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.86 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -60.61 159.57 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 50.04 111.104 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.142 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.809 0.338 . . . . 44.32 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -52.74 -28.81 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 72.23 110.836 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.589 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -52.37 -25.62 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 70.52 110.995 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.33 -31.89 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 74.1 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -60.79 2.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.6 -37.21 72.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.782 ' HB ' HD13 ' A' ' 133' ' ' ILE . 65.0 p -65.38 -52.81 51.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 53.31 111.122 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.578 ' HD3' HG21 ' B' ' 550' ' ' VAL . 0.7 OUTLIER -55.32 -50.18 70.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.88 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 97' ' ' THR . 29.8 tt0 -59.38 -46.63 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.884 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -58.66 -35.73 73.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 52.42 110.934 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.16 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.43 111.103 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.6 pp -54.83 -38.27 67.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 71.41 110.958 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 19.2 p -63.14 -47.2 83.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.193 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.638 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -72.02 -26.88 62.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.867 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -79.11 -35.33 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 64.11 110.835 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.57 -41.01 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 64.35 110.926 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.49 -39.93 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -133.51 72.73 74.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 73.3 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 73.87 1.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.752 2.301 . . . . 74.22 112.381 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -33.3 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.914 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -66.13 -35.12 79.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.42 110.961 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.4 tpt -74.57 -23.66 58.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 62.3 110.913 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -86.25 -45.67 11.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 71.14 110.906 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.04 116.43 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.899 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -52.28 -35.75 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.948 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.81 -36.78 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.931 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.23 -56.67 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.832 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -57.49 -39.66 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 62.45 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -60.08 -60.12 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 62.52 110.889 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.26 -40.87 71.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 72.44 110.889 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.778 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -65.03 -39.19 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.838 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -58.71 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.898 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.8 t -53.02 -46.39 68.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.184 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' HG13 ' A' ' 122' ' ' VAL . 12.3 mm-40 -67.72 -38.89 84.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 73.11 110.896 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.633 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 21.7 t80 -61.78 -29.99 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.923 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -82.98 -35.51 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 75.1 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -75.13 -33.7 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.869 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.5 m -75.35 -13.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 71.34 111.117 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.797 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.06 -36.09 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.924 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 57.4 mt -91.82 -29.83 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 75.34 110.905 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 3.7 tt0 -48.14 -60.21 4.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 64.13 110.945 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.66 156.67 62.99 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.749 2.3 . . . . 61.24 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.68 -19.73 43.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 51.41 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.558 ' O ' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -83.21 50.49 1.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.972 0.415 . . . . 75.43 110.901 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -56.8 -16.09 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 70.44 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -86.34 23.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 62.11 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.052 HD11 HG23 ' A' ' 136' ' ' THR . 4.1 pp -86.72 163.99 17.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 65.34 110.936 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.487 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -62.59 140.95 58.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.866 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.782 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -59.44 -20.16 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 72.04 111.112 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.26 -36.25 82.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 75.12 110.948 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.758 ' HB2' HD13 ' A' ' 131' ' ' LEU . 26.9 mm-40 -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 63.55 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.052 HG23 HD11 ' A' ' 131' ' ' LEU . 3.0 p -53.65 -54.03 43.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 52.25 111.182 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.638 HD21 ' CD2' ' A' ' 98' ' ' PHE . 8.9 tp -68.73 -48.42 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.933 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.4 tt -51.42 -47.41 63.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.969 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.96 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 44.04 111.02 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.9 -40.86 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.32 111.101 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -66.92 -62.1 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.19 -37.27 54.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 65.25 110.858 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -66.87 -33.03 74.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.778 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.6 tp -63.78 -35.49 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 62.04 110.923 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.703 HE21 HD23 ' A' ' 144' ' ' LEU . 9.2 mp0 -105.09 34.35 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 54.3 110.939 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.08 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 52.52 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.79 -32.27 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.54 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -49.58 -52.57 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -91.13 -29.15 17.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 71.42 110.878 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . 0.489 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.1 tt0 -50.92 -46.97 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 64.45 110.897 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.682 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.8 ptmt -50.26 -50.66 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.933 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.486 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.8 m95 -59.48 -61.75 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.899 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.578 HG21 ' HD3' ' A' ' 92' ' ' LYS . 48.8 t -52.15 -55.45 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 70.33 111.159 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -46.26 -42.33 14.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.797 HG12 HD23 ' A' ' 123' ' ' LEU . 76.4 t -69.61 -37.63 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.128 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.771 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.43 -45.2 88.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 65.22 110.954 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -27.21 32.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.949 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.96 -32.72 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.838 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.37 -32.61 18.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 73.04 110.83 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.79 -77.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 73.35 112.518 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 -75.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 71.33 110.882 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.02 -174.81 4.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.934 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.99 158.11 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 50.04 111.118 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 16.6 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.128 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.801 0.334 . . . . 44.32 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.37 -23.05 46.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.904 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 91' ' ' THR . 53.4 mmtt -49.6 -29.97 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 70.52 110.839 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -49.32 -32.06 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 74.1 110.944 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.62 -61.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 72.22 110.928 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.27 -35.79 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 72.41 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.796 HG21 ' CE2' ' B' ' 553' ' ' TYR . 67.5 p -65.51 -58.07 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 53.31 111.108 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.764 ' HD2' HG21 ' B' ' 550' ' ' VAL . 4.6 tptt -51.94 -47.12 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.916 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.6 tt0 -61.01 -45.14 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.925 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.99 -34.45 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 52.42 110.917 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.43 -60.72 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.057 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.8 pp -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.41 110.946 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.599 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -64.3 -47.71 78.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.157 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.31 61.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.825 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -81.56 -36.0 29.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.11 110.828 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -83.72 -36.85 23.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 64.35 110.961 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -73.96 -39.67 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.855 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -132.73 67.4 78.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.586 0.708 . . . . 73.3 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.11 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 74.22 112.339 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.693 ' NE2' HD12 ' A' ' 115' ' ' LEU . 5.1 tt0 -57.97 -34.79 70.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.915 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.89 -33.18 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.42 110.935 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -23.69 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 62.3 110.833 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -89.58 -37.56 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 71.14 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 106.73 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.9 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -34.42 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.87 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.71 -43.66 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.11 110.843 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.46 -47.23 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.806 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.17 -35.45 77.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 62.45 110.853 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.64 -59.76 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 62.52 110.942 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.666 ' HG3' HD11 ' A' ' 144' ' ' LEU . 3.4 pt20 -54.33 -41.81 69.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.861 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.758 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -65.18 -37.73 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 72.35 110.932 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -64.62 -58.69 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.03 110.867 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.6 t -53.42 -46.0 69.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.24 111.158 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.66 ' O ' HG13 ' A' ' 122' ' ' VAL . 19.4 mt-10 -68.06 -37.69 81.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.896 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.606 ' O ' HD22 ' A' ' 123' ' ' LEU . 20.2 t80 -62.07 -30.11 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.876 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.404 ' HG3' HG11 ' B' ' 552' ' ' VAL . 23.2 mtpt -83.86 -35.76 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.877 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -74.44 -33.67 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 118' ' ' GLU . 33.7 m -74.86 -14.26 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 71.34 111.124 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.79 HD23 HG12 ' B' ' 552' ' ' VAL . 0.6 OUTLIER -87.0 -34.41 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.872 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.62 -31.7 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.56 -60.3 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.669 0.747 . . . . 64.13 110.932 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.77 153.9 68.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.222 . . . . 61.24 112.359 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.57 -18.65 47.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.713 -0.756 . . . . 51.41 112.408 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.513 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.9 t -86.0 49.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 75.43 110.875 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -16.87 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.904 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -74.38 -1.11 19.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 62.11 110.855 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.1 pp -63.52 164.83 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 65.34 110.866 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.428 ' O ' HD12 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -69.79 144.09 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.846 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.65 HG21 HG22 ' A' ' 91' ' ' THR . 1.8 tt -56.2 -33.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.04 111.113 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -51.12 -36.07 38.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.94 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.729 ' HB2' HD13 ' A' ' 131' ' ' LEU . 24.0 mm-40 -76.8 -37.66 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 63.55 110.907 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.674 ' HB ' HD11 ' A' ' 123' ' ' LEU . 21.1 p -56.83 -49.65 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 52.25 111.069 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 119' ' ' PHE . 87.4 mt -74.4 -48.23 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.947 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.69 -42.61 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.33 -56.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 44.04 111.087 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.64 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.12 -35.77 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.32 111.08 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.28 -64.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 71.12 110.914 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.02 -35.84 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 65.25 110.911 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.7 -34.29 77.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.758 HD22 ' HG ' ' A' ' 115' ' ' LEU . 9.4 tp -64.57 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 62.04 110.964 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.724 HE21 HD23 ' A' ' 144' ' ' LEU . 9.9 mp0 -104.52 34.07 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 54.3 110.899 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.058 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.876 0.37 . . . . 52.52 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -48.64 -31.89 7.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.54 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -49.64 -52.84 27.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.88 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.19 -29.29 17.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 71.42 110.906 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -47.33 63.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 64.45 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.689 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.39 -51.47 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.891 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -59.2 -61.07 2.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.928 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.764 HG21 ' HD2' ' A' ' 92' ' ' LYS . 49.2 t -52.02 -56.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 70.33 111.067 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -45.23 -42.56 9.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.887 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.79 HG12 HD23 ' A' ' 123' ' ' LEU . 93.6 t -69.16 -39.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.118 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.42 -46.14 87.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 65.22 110.93 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.421 HD23 HG12 ' B' ' 550' ' ' VAL . 1.0 OUTLIER -80.04 -27.06 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 74.44 110.941 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.86 -32.73 65.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.888 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -32.46 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.04 110.939 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -64.38 -71.07 0.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 73.35 112.443 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.82 -74.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 71.33 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -160.58 -173.9 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 64.14 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.97 157.49 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 50.04 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . 0.419 ' CG1' HD22 ' B' ' 554' ' ' LEU . 14.1 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.111 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.741 0.305 . . . . 44.32 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -52.41 -27.98 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -50.06 -28.14 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 70.52 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.99 -31.53 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -69.73 -60.13 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -55.87 -46.97 78.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.92 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.828 HG22 HG21 ' A' ' 133' ' ' ILE . 65.8 p -59.92 -55.06 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 53.31 111.095 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -47.58 62.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.88 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -59.08 -47.31 85.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.924 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.15 -35.43 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 52.42 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.61 -60.28 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 97' ' ' THR . 2.7 pp -56.12 -37.75 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 71.41 110.894 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.613 ' N ' HD12 ' A' ' 96' ' ' LEU . 19.6 p -63.2 -48.3 78.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.181 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.765 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.65 -27.3 62.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 70.44 110.895 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -78.11 -37.78 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.872 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -82.05 -39.75 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 64.35 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.71 -36.79 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -135.39 71.0 67.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 73.3 110.863 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 80.37 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.746 2.297 . . . . 74.22 112.446 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -35.94 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.887 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -59.82 -34.26 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.954 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 tpt -74.43 -23.44 58.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 62.3 110.867 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -83.54 -48.24 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.893 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.18 118.85 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.53 110.843 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.73 -35.7 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.929 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.08 -39.44 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.856 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.535 ' OD2' HD21 ' A' ' 144' ' ' LEU . 2.1 t0 -53.12 -58.92 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.899 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -51.86 -43.61 63.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 62.45 110.898 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.44 -58.93 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 62.52 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -51.2 -43.05 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.948 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.735 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -64.26 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.917 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -64.99 -59.28 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.88 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 118' ' ' GLU . 2.7 t -51.92 -47.32 64.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.11 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.686 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -67.53 -37.7 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.858 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 23.1 t80 -62.01 -30.27 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.887 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -82.85 -35.13 26.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 75.1 110.902 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -33.78 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 118' ' ' GLU . 30.5 m -75.31 -13.99 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.119 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.8 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -85.87 -36.98 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.911 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.78 -28.91 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 75.34 110.946 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.5 tp10 -48.77 -60.1 5.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 64.13 110.906 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.72 156.77 62.58 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.741 2.294 . . . . 61.24 112.352 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 -18.77 47.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 51.41 112.506 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.53 ' O ' HD23 ' A' ' 131' ' ' LEU . 47.8 m -83.11 50.48 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 75.43 110.88 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -58.1 -15.51 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -86.62 23.96 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 62.11 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.108 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -87.75 163.62 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.914 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.31 140.48 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.807 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.828 HG21 HG22 ' A' ' 91' ' ' THR . 2.9 tt -59.39 -20.17 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 72.04 111.144 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.9 -36.09 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.73 ' HB2' HD13 ' A' ' 131' ' ' LEU . 27.8 mm-40 -73.88 -41.96 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 63.55 110.858 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.108 HG23 HD11 ' A' ' 131' ' ' LEU . 2.1 p -54.78 -54.04 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 52.25 111.132 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.765 HD21 ' CD2' ' A' ' 98' ' ' PHE . 9.8 tp -68.22 -47.57 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.926 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.15 -45.46 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.991 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.68 38.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 44.04 111.077 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -55.63 -34.88 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 73.32 111.062 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -71.19 -62.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.12 110.873 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -54.12 -38.98 66.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 65.25 110.856 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -63.53 -33.9 76.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.856 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.735 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.3 tp -64.34 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 62.04 110.88 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.729 HE21 HD23 ' A' ' 144' ' ' LEU . 9.6 mp0 -106.13 34.27 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 54.3 110.864 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 73.03 111.133 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 52.52 110.846 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.91 -32.13 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -49.74 -52.69 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -90.93 -29.18 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.879 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.26 -47.13 55.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.45 110.906 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.678 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.0 ptmt -50.3 -50.17 51.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.933 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.515 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.6 m95 -60.15 -61.27 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.885 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.507 HG12 HD23 ' B' ' 554' ' ' LEU . 62.5 t -52.13 -56.18 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 70.33 111.145 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -45.88 -42.81 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.827 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.8 HG12 HD23 ' A' ' 123' ' ' LEU . 71.5 t -68.45 -38.41 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 73.21 111.186 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.785 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.0 -45.31 95.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 65.22 110.89 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.507 HD23 HG12 ' B' ' 550' ' ' VAL . 1.2 pp -79.53 -26.94 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 74.44 110.905 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.55 -33.16 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.888 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -32.37 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.903 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.17 -74.76 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 73.35 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -135.14 -50.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 71.33 110.978 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -174.65 172.87 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 64.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.82 162.27 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 50.04 111.098 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.145 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.852 0.358 . . . . 44.32 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.88 -28.97 17.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 72.23 110.933 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 91' ' ' THR . 5.7 mptt -50.56 -27.45 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 70.52 110.929 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.63 -31.68 7.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 74.1 110.877 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -68.32 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 72.22 110.908 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -57.6 -39.54 77.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 72.41 110.916 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.758 HG21 ' CE2' ' B' ' 553' ' ' TYR . 69.7 p -63.19 -53.07 58.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 53.31 111.232 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.666 ' HE2' HG21 ' B' ' 550' ' ' VAL . 0.2 OUTLIER -55.14 -47.7 74.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.939 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 96' ' ' LEU . 4.8 tt0 -59.91 -45.32 92.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.834 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 52.42 110.873 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.44 -60.78 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 72.43 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.88 -37.89 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.41 110.869 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.607 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.0 p -63.86 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 75.23 111.11 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -24.5 62.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.822 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -81.94 -35.34 29.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 64.11 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -84.94 -36.4 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 64.35 110.914 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.74 -40.14 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.857 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -132.56 67.55 78.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 73.3 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 73.37 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 74.22 112.352 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -35.72 46.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.911 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.52 -34.23 70.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.93 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.8 mtp -74.52 -23.44 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 62.3 110.928 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -87.27 -35.84 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 71.14 110.858 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -154.68 116.49 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.929 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -58.28 -41.82 85.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.92 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.24 -37.56 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.885 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.6 -49.76 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -53.03 -53.62 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 62.45 110.821 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.46 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 62.52 110.84 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.79 -42.44 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 72.44 110.957 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.719 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.58 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.889 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.9 ttt -63.84 -59.09 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.915 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -53.62 -46.37 70.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 75.24 111.167 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.9 OUTLIER -66.12 -41.2 90.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.824 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.571 ' O ' HD22 ' A' ' 123' ' ' LEU . 13.1 t80 -62.1 -28.03 69.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.83 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.463 ' HG3' HG11 ' B' ' 552' ' ' VAL . 27.8 mtpt -83.28 -32.4 26.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.799 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -79.56 -32.93 42.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 75.21 110.951 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 118' ' ' GLU . 28.1 m -73.32 -13.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.154 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.827 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.49 -37.79 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 74.02 110.938 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.17 -29.6 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.921 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -46.79 -60.47 3.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.679 0.752 . . . . 64.13 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.79 159.37 53.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 61.24 112.346 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.14 -19.62 45.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.737 -0.744 . . . . 51.41 112.564 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.438 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.9 m -84.0 49.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 75.43 110.818 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -16.71 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.939 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -87.13 24.05 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 62.11 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.043 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -86.59 163.62 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.34 110.942 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -61.56 141.72 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.803 HD12 ' CG ' ' B' ' 553' ' ' TYR . 6.3 tt -59.06 -20.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 72.04 111.129 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 131' ' ' LEU . 29.0 mm-40 -73.7 -42.69 60.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.55 110.906 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.043 HG23 HD11 ' A' ' 131' ' ' LEU . 1.9 p -53.7 -52.34 60.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 52.25 111.106 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 119' ' ' PHE . 87.7 mt -68.82 -50.16 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 73.04 110.939 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.28 -47.09 62.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.927 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.46 -49.95 64.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 44.04 111.123 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.611 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.13 -35.31 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.043 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -71.48 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.3 -37.22 69.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 65.25 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -65.73 -33.51 76.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.932 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.735 HD23 HE21 ' A' ' 145' ' ' GLN . 12.8 tp -63.5 -35.5 80.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 62.04 110.922 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.735 HE21 HD23 ' A' ' 144' ' ' LEU . 9.1 mp0 -104.27 33.88 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 54.3 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.03 111.089 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.808 0.337 . . . . 52.52 110.831 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -32.15 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.914 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -49.86 -52.93 28.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.78 -28.4 18.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.929 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -47.49 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 64.45 110.908 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.713 ' O ' HG23 ' B' ' 552' ' ' VAL . 11.8 ptmt -50.03 -52.1 36.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 74.23 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.566 ' CH2' HD22 ' A' ' 115' ' ' LEU . 74.3 m95 -58.84 -62.02 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.918 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.666 HG21 ' HE2' ' A' ' 92' ' ' LYS . 48.8 t -51.1 -55.95 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 70.33 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -44.95 -42.92 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.846 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.827 HG12 HD23 ' A' ' 123' ' ' LEU . 99.4 t -67.88 -40.67 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.099 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.803 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -58.95 -44.39 91.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 65.22 110.892 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.475 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -81.18 -26.32 36.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.44 110.94 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.93 -33.28 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.851 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -31.4 19.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 73.04 110.871 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.28 -75.71 0.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 73.35 112.485 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.63 -63.65 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 71.33 110.946 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -175.07 -171.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.835 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -66.52 152.94 44.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 50.04 111.104 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.9 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.123 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.791 0.329 . . . . 44.32 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -52.99 -27.5 19.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.942 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -49.9 -28.36 6.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 70.52 110.93 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.14 -31.38 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -65.34 -61.51 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 72.22 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -49.85 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.961 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.796 HG21 ' CE2' ' B' ' 553' ' ' TYR . 34.0 p -54.97 -56.83 15.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 53.31 111.211 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HG3' HD13 ' B' ' 546' ' ' LEU . 13.5 ttmt -51.15 -42.94 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.953 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 97' ' ' THR . 3.9 tt0 -61.02 -45.43 94.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.951 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.44 -34.97 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 52.42 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.65 -60.73 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 72.43 111.127 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 97' ' ' THR . 2.6 pp -54.86 -39.73 68.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 71.41 110.966 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.582 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.3 p -61.7 -47.02 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 75.23 111.18 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -29.26 64.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 70.44 110.841 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.98 -36.04 59.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 64.11 110.89 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -83.87 -42.75 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 64.35 110.951 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.4 -39.76 85.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.813 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -136.27 74.89 54.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 73.3 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 74.15 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.659 2.239 . . . . 74.22 112.338 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -36.11 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.913 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 72.42 110.878 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.2 tpp -79.65 -23.57 42.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 62.3 110.878 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -48.52 12.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 71.14 110.889 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.24 112.33 3.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.866 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -35.28 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.22 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.64 -37.65 76.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.92 -58.47 8.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.856 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -52.85 -43.9 66.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 62.45 110.886 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.32 -58.46 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 62.52 110.885 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -52.06 -42.6 63.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.98 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.475 HD11 ' NE2' ' A' ' 145' ' ' GLN . 0.1 OUTLIER -64.43 -36.95 85.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 72.35 110.866 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.4 ttp -65.69 -59.17 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 75.03 110.924 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.0 t -51.89 -46.48 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 75.24 111.151 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.9 mm-40 -68.51 -34.89 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.859 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.604 ' O ' HD13 ' A' ' 123' ' ' LEU . 11.5 t80 -65.94 -27.88 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.879 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HG3' HG11 ' B' ' 552' ' ' VAL . 16.5 mtpt -84.39 -36.34 22.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.935 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -73.59 -33.21 64.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.895 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.659 HG21 ' HB2' ' A' ' 140' ' ' ALA . 35.8 m -75.06 -13.47 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 71.34 111.122 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.808 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.93 -35.56 18.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 74.02 110.913 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.66 -29.83 16.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.8 tp10 -49.03 -60.61 4.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.674 0.749 . . . . 64.13 110.877 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.68 155.67 65.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.236 . . . . 61.24 112.411 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.91 -19.47 43.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 51.41 112.539 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.533 ' O ' HD23 ' A' ' 131' ' ' LEU . 58.7 m -85.88 48.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 75.43 110.877 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -58.77 -15.6 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.954 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -73.85 -3.12 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 62.11 110.941 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.1 pp -63.71 164.52 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 65.34 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -71.3 147.67 47.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.901 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.64 HG21 HG22 ' A' ' 91' ' ' THR . 16.2 tt -57.51 -32.41 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 72.04 111.1 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -38.78 34.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.953 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.708 ' HB2' HD13 ' A' ' 131' ' ' LEU . 32.5 mm-40 -76.76 -35.14 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.55 110.935 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.717 ' HB ' HD11 ' A' ' 123' ' ' LEU . 20.5 p -59.67 -50.31 74.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 52.25 111.086 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.2 tp -73.16 -47.08 46.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.925 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.57 -51.11 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.888 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.71 -54.84 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 44.04 111.088 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.659 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.88 -45.16 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.084 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -61.49 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.886 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 146' ' ' ALA . 1.7 mm-40 -51.78 -35.72 44.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 65.25 110.91 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -72.99 -32.06 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.875 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 144' ' ' LEU . 1.2 tm? -67.38 -48.1 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 62.04 110.962 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.475 ' NE2' HD11 ' A' ' 115' ' ' LEU . 4.1 mp0 -98.72 32.82 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 54.3 110.968 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 142' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.03 111.075 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 52.52 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -48.48 -32.19 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -49.9 -53.24 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.494 HD13 ' HG3' ' A' ' 92' ' ' LYS . 4.5 pp -90.48 -28.37 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.939 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . 0.422 ' N ' HD12 ' B' ' 546' ' ' LEU . 0.5 OUTLIER -50.58 -47.75 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 64.45 110.85 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.712 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.86 -51.17 42.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.933 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -58.98 -60.89 3.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 72.04 110.859 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 56.3 t -52.36 -55.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 70.33 111.106 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -41.21 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.868 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 123' ' ' LEU . 94.4 t -70.24 -39.17 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.107 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -57.87 -45.53 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 65.22 110.888 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -28.33 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.934 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.84 -32.91 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.839 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -32.63 17.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.934 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.52 -78.22 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 73.35 112.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -57.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 71.33 110.939 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -174.63 -175.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 64.14 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -67.67 154.12 42.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 50.04 111.088 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.118 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.5 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.741 0.305 . . . . 44.32 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.72 -29.37 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 72.23 110.899 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -51.34 -26.41 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 70.52 110.856 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.66 -31.69 7.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.432 . . . . 74.1 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -61.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.945 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.39 -37.15 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.776 HG21 ' CE2' ' B' ' 553' ' ' TYR . 62.5 p -64.17 -55.67 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 53.31 111.172 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.87 -45.19 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HA ' HD21 ' A' ' 96' ' ' LEU . 3.2 tt0 -61.07 -44.97 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.887 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.38 -34.76 77.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 52.42 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.83 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.43 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.59 -38.44 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 71.41 110.932 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.6 p -63.46 -47.14 83.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.23 111.188 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.639 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.92 -26.22 62.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.874 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.3 -36.01 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.881 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -83.69 -37.29 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 64.35 110.932 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -36.03 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.856 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -132.05 68.06 79.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 73.3 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.687 2.258 . . . . 74.22 112.309 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.68 -35.34 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 72.42 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.17 -34.69 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -74.74 -23.48 58.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 62.3 110.871 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -85.86 -48.53 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.36 137.36 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.915 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -68.41 -36.13 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.878 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.45 -36.21 60.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.914 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.33 -52.7 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -55.38 21.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 62.45 110.838 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.04 -55.73 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.52 110.933 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -50.98 -46.88 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 141' ' ' HIS . 0.2 OUTLIER -63.94 -34.24 77.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 72.35 110.917 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.3 ttt -66.58 -59.88 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.03 110.873 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -52.16 -46.17 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.137 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.5 mt-10 -67.9 -35.22 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 73.11 110.888 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.607 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 17.6 t80 -65.29 -28.86 69.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.862 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HG3' HG11 ' B' ' 552' ' ' VAL . 14.7 mtpt -83.75 -35.51 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.1 110.91 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -74.51 -33.25 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.937 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 140' ' ' ALA . 35.5 m -74.93 -15.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 71.34 111.166 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.803 HD23 HG12 ' B' ' 552' ' ' VAL . 0.4 OUTLIER -84.7 -36.47 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.895 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.67 -8.04 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.4 tt0 -68.61 -60.52 4.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.611 0.72 . . . . 64.13 110.84 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.75 158.25 57.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 61.24 112.333 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -18.87 47.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 51.41 112.527 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.544 ' O ' HD23 ' A' ' 131' ' ' LEU . 0.8 OUTLIER -83.18 50.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 75.43 110.814 -179.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -18.77 4.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.892 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -85.73 24.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 62.11 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.135 HD11 HG23 ' A' ' 136' ' ' THR . 4.1 pp -85.71 164.15 17.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 65.34 110.913 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.512 ' O ' HD12 ' A' ' 131' ' ' LEU . 19.6 m -61.8 140.19 58.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.881 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.778 HD12 ' CG ' ' B' ' 553' ' ' TYR . 5.2 tt -60.14 -20.27 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.04 111.108 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -68.19 -35.62 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.929 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.707 ' HB2' HD13 ' A' ' 131' ' ' LEU . 30.0 mm-40 -73.45 -40.36 64.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 63.55 110.903 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.135 HG23 HD11 ' A' ' 131' ' ' LEU . 1.6 p -57.7 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 52.25 111.177 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.639 HD21 ' CD2' ' A' ' 98' ' ' PHE . 12.8 tp -67.42 -52.14 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 73.04 110.904 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.89 -53.88 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 44.04 111.058 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.92 -45.95 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 73.32 111.087 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.464 ' CD2' HD11 ' A' ' 115' ' ' LEU . 4.3 t-80 -61.32 -63.45 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 71.12 110.814 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.79 -36.81 49.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 65.25 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -73.13 -30.8 63.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.917 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 118' ' ' GLU . 1.3 tm? -66.48 -48.04 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 62.04 110.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -99.21 33.99 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 54.3 110.893 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.107 179.875 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 52.52 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.68 -31.66 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.54 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -49.63 -53.19 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.25 110.846 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.93 -29.76 17.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 71.42 110.955 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . 0.403 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.4 tt0 -50.49 -47.64 57.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.9 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.699 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.6 ptmt -49.39 -51.1 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 74.23 110.938 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -59.36 -61.55 2.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 72.04 110.875 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.661 HG12 HD23 ' B' ' 554' ' ' LEU . 60.6 t -51.86 -56.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 70.33 111.201 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -43.19 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 75.53 110.891 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.803 HG12 HD23 ' A' ' 123' ' ' LEU . 71.2 t -67.09 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.079 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.778 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -61.72 -45.45 93.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 65.22 110.945 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.661 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -77.26 -27.83 53.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.874 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -75.92 -32.69 59.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.888 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -32.28 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.04 110.902 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.27 -75.62 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 73.35 112.487 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.12 -75.03 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 71.33 110.938 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.55 -174.81 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.906 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -59.97 158.08 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 50.04 111.081 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' B' ' 554' ' ' LEU . 14.1 pt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 73.03 111.104 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.841 0.353 . . . . 44.32 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.12 -29.6 24.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.938 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -51.76 -26.68 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 70.52 110.909 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.81 -31.31 6.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.95 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.32 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 72.22 110.868 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -54.25 -44.06 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.884 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.8 HG21 ' CE2' ' B' ' 553' ' ' TYR . 61.1 p -58.15 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 53.31 111.139 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.627 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.1 tptm -53.76 -43.38 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.858 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 96' ' ' LEU . 9.4 tt0 -60.87 -44.86 96.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.898 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.14 79.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 52.42 110.922 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.06 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.43 111.128 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 97' ' ' THR . 2.4 pp -54.86 -40.6 69.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.578 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -60.76 -47.72 85.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.158 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -29.61 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 70.44 110.9 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -74.49 -39.62 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 64.11 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -80.75 -43.59 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.483 . . . . 64.35 110.863 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.77 -37.8 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 74.32 110.878 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -134.98 73.05 66.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 73.3 110.844 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.7 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.642 2.228 . . . . 74.22 112.322 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.528 ' OE1' HD12 ' A' ' 115' ' ' LEU . 0.8 OUTLIER -51.34 -35.57 38.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 72.42 110.953 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -63.03 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.869 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 mmt -75.22 -23.79 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 62.3 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -84.09 -48.34 9.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 71.14 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.77 116.77 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 72.53 110.873 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.58 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 73.22 110.871 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.71 -36.22 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.664 ' OD2' HD21 ' A' ' 144' ' ' LEU . 32.1 t0 -58.04 -56.9 16.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.912 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -52.17 -42.42 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 62.45 110.837 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -57.9 -60.01 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 62.52 110.921 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -52.02 -40.38 60.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.711 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -64.59 -38.86 92.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.882 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.0 ttp -65.5 -58.87 4.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.92 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -51.89 -46.32 64.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 75.24 111.191 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.688 ' O ' HG13 ' A' ' 122' ' ' VAL . 7.4 tt0 -67.99 -41.41 82.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.596 ' O ' HD22 ' A' ' 123' ' ' LEU . 10.2 t80 -60.39 -26.14 66.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.891 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -84.76 -39.77 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 75.1 110.919 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -72.05 -31.28 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.901 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 118' ' ' GLU . 27.5 m -76.4 -13.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 71.34 111.162 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.796 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.55 -32.96 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.938 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.53 -31.59 15.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.2 tt0 -48.21 -60.13 4.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 64.13 110.887 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.4 Cg_endo -69.72 154.49 67.81 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.706 2.271 . . . . 61.24 112.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.7 -18.17 49.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 51.41 112.486 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.52 ' O ' HD23 ' A' ' 131' ' ' LEU . 74.6 m -83.17 50.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 75.43 110.862 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -56.24 -17.16 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 70.44 110.862 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -86.45 23.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 62.11 110.862 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.09 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -86.94 163.68 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 65.34 110.899 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.461 ' O ' HD12 ' A' ' 131' ' ' LEU . 5.7 m -62.48 140.68 58.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.926 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.734 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -59.26 -20.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.04 111.157 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -66.28 -37.22 84.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.734 ' HB2' HD13 ' A' ' 131' ' ' LEU . 31.6 mm-40 -73.0 -43.24 62.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 63.55 110.963 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.09 HG23 HD11 ' A' ' 131' ' ' LEU . 2.2 p -53.5 -55.74 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 52.25 111.164 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.32 -47.5 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 139' ' ' ALA . 4.5 tt -51.91 -52.33 50.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.965 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.477 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -61.69 -51.9 66.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 44.04 111.093 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.612 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.65 -40.12 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 73.32 111.113 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -65.29 -59.29 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -55.95 -35.77 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 65.25 110.838 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -68.78 -32.59 72.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.711 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.1 tp -61.85 -35.88 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 62.04 110.987 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.694 HE21 HD23 ' A' ' 144' ' ' LEU . 9.6 mp0 -102.88 32.8 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 54.3 110.957 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.138 179.887 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 52.52 110.835 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.69 -31.91 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.54 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -53.13 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.832 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.5 pp -90.98 -28.66 17.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.877 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.02 -47.3 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 64.45 110.944 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.5 ptmt -49.92 -50.83 44.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.905 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.503 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.3 m95 -59.56 -61.41 2.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.913 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.627 HG21 ' HD2' ' A' ' 92' ' ' LYS . 59.6 t -52.08 -56.39 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 70.33 111.153 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -42.9 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.53 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.796 HG12 HD23 ' A' ' 123' ' ' LEU . 78.1 t -68.37 -39.7 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.21 111.085 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.8 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.36 -46.01 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 65.22 110.916 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.512 HD23 HG12 ' B' ' 550' ' ' VAL . 1.0 OUTLIER -79.17 -28.06 42.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.44 110.883 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.1 -32.91 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.858 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -32.48 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.879 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -58.85 -72.61 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.751 -0.738 . . . . 73.35 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.08 -57.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 71.33 110.963 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -171.05 179.28 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.54 155.91 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 50.04 111.078 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 73.03 111.12 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.4 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 44.32 110.948 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.87 -28.68 16.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -50.17 -28.21 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 70.52 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -49.17 -31.25 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 74.1 110.959 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -61.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 72.22 110.867 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.78 -45.85 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.903 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.782 HG21 ' CE2' ' B' ' 553' ' ' TYR . 82.4 p -59.17 -55.61 32.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 53.31 111.112 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.437 ' HG3' HD13 ' B' ' 546' ' ' LEU . 1.7 ttmt -51.59 -47.47 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 75.23 110.893 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HA ' HD21 ' A' ' 96' ' ' LEU . 33.6 tt0 -59.09 -44.75 91.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.916 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.72 -35.05 76.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 52.42 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.93 -60.89 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.085 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 97' ' ' THR . 2.5 pp -54.65 -38.16 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.883 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.584 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.5 p -64.04 -46.34 84.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -27.09 62.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.936 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.28 -35.06 36.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 64.11 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -83.66 -41.88 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.35 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.29 -37.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -135.21 72.35 66.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 73.3 110.811 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 78.16 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 74.22 112.292 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.459 HE21 HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -60.14 -35.03 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.947 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.29 -35.68 67.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.1 ttt -74.46 -23.42 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 62.3 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -73.55 -42.6 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 71.14 110.775 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.76 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.53 110.927 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -30.38 22.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.926 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.8 -39.57 43.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.842 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -51.9 -41.1 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.857 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -53.87 -61.44 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.45 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -53.25 -48.85 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 62.52 110.813 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.38 -48.21 74.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.746 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.1 tt -65.96 -36.4 83.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.35 110.875 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.6 ttp -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.897 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 5.0 t -60.22 -45.21 93.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.117 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.715 ' O ' HG13 ' A' ' 122' ' ' VAL . 22.2 mt-10 -64.22 -29.52 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 73.11 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.598 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 16.8 t80 -78.51 -30.26 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 75.54 110.888 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.443 ' HG3' HG11 ' B' ' 552' ' ' VAL . 4.2 mtpm? -81.6 -25.49 35.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.915 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.424 ' HG2' ' HA ' ' A' ' 118' ' ' GLU . 0.7 OUTLIER -84.88 -36.52 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.953 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 118' ' ' GLU . 27.2 m -70.37 -13.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 71.34 111.146 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.815 HD23 HG12 ' B' ' 552' ' ' VAL . 0.2 OUTLIER -83.5 -39.31 20.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.93 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.8 mt -93.13 -28.32 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.934 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -46.96 -60.39 3.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.72 . . . . 64.13 110.885 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.2 Cg_endo -69.65 160.17 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.721 2.28 . . . . 61.24 112.41 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.66 -22.16 37.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 51.41 112.456 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.492 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.5 m -84.49 49.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 75.43 110.773 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -14.48 7.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 70.44 110.918 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -85.03 23.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.962 HD11 HG23 ' A' ' 136' ' ' THR . 3.6 pp -88.13 160.86 17.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.907 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.61 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -56.57 165.98 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.857 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.709 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.3 tt -79.19 -19.19 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 72.04 111.165 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -67.38 -39.44 85.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.12 110.936 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.505 ' HB2' HD13 ' A' ' 131' ' ' LEU . 2.0 mt-30 -70.85 -44.12 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 63.55 110.91 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.962 HG23 HD11 ' A' ' 131' ' ' LEU . 1.4 p -52.31 -57.59 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 52.25 111.157 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.568 HD23 ' CE2' ' A' ' 119' ' ' PHE . 67.2 mt -63.39 -50.13 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.893 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.13 -45.02 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.829 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.36 -55.53 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 44.04 111.086 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.613 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -51.87 -42.41 62.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.077 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -63.47 -64.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.855 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.4 -30.89 42.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 65.25 110.9 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -77.22 -31.15 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.855 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 115' ' ' LEU . 57.4 tp -52.57 -35.26 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.948 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -99.61 -53.9 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 54.3 110.949 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.03 111.079 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.84 0.352 . . . . 52.52 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -48.51 -32.17 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -49.85 -53.22 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.949 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.437 HD13 ' HG3' ' A' ' 92' ' ' LYS . 4.3 pp -90.65 -27.43 19.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.904 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -47.86 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 64.45 110.951 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.711 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.0 ptmt -49.32 -52.61 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.839 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.536 ' CH2' HD22 ' A' ' 115' ' ' LEU . 73.0 m95 -58.86 -61.42 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 72.04 110.911 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.51 HG12 HD23 ' B' ' 554' ' ' LEU . 59.2 t -51.05 -56.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 70.33 111.125 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -42.65 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 75.53 110.901 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.815 HG12 HD23 ' A' ' 123' ' ' LEU . 99.5 t -67.99 -40.68 83.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.102 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.782 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 65.22 110.93 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.51 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -79.95 -27.78 39.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 74.44 110.875 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -73.18 -33.51 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.873 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.22 -31.26 19.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.875 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.97 -73.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 73.35 112.525 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.8 -63.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 71.33 110.917 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -175.19 -172.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.862 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.15 156.7 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 50.04 111.072 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 10.0 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.03 111.131 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.762 0.315 . . . . 44.32 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -85.0 -25.88 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.91 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 91' ' ' THR . 26.9 mmtt -50.94 -28.65 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 70.52 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -48.79 -32.17 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -61.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.909 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -57.02 -37.39 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.936 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.773 HG21 ' CE2' ' B' ' 553' ' ' TYR . 77.6 p -63.17 -56.69 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 53.31 111.149 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -44.55 72.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.851 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.454 ' HA ' HD21 ' A' ' 96' ' ' LEU . 24.8 tt0 -60.97 -44.54 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.894 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -62.9 -34.69 77.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 52.42 110.903 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.98 -59.5 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 72.43 111.11 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -56.07 -38.01 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.935 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.597 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -63.84 -46.66 84.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 75.23 111.187 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -25.7 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.886 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -81.57 -35.13 30.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 64.11 110.956 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -84.67 -35.51 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 64.35 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.38 -40.15 62.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -131.25 66.26 78.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 73.3 110.899 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 76.26 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.243 . . . . 74.22 112.372 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.733 ' OE1' HD12 ' A' ' 115' ' ' LEU . 9.1 pt20 -68.36 -34.3 75.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.42 110.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -54.63 -35.09 63.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.934 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.47 -23.44 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 62.3 110.909 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -46.8 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 71.14 110.847 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.89 144.68 37.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.899 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -83.82 -38.66 20.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.967 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.77 -37.63 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.925 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.14 -57.13 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 75.41 110.821 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -56.8 -50.79 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 62.45 110.9 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -52.89 -59.77 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 62.52 110.878 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.86 -41.94 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.766 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -64.91 -39.12 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.95 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.431 ' HE3' ' HE2' ' B' ' 548' ' ' LYS . 17.6 tpp -63.42 -58.98 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.923 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -53.18 -47.28 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.185 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.71 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.8 tt0 -66.09 -41.03 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.11 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.584 ' O ' HD13 ' A' ' 123' ' ' LEU . 12.0 t80 -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.498 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.4 mtpp -83.49 -31.61 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.867 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -32.99 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.869 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 118' ' ' GLU . 28.6 m -72.76 -13.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 71.34 111.075 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.842 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -83.89 -39.42 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.925 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.3 mt -91.81 -29.21 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.911 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 7.5 tt0 -46.76 -60.16 4.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 64.13 110.916 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 159.19 54.32 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.244 . . . . 61.24 112.352 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.1 -23.05 33.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 51.41 112.54 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.58 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.0 m -84.11 49.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 75.43 110.862 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -18.52 6.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.873 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -82.08 24.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 62.11 110.944 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.998 HD11 HG23 ' A' ' 136' ' ' THR . 3.7 pp -85.69 163.95 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 65.34 110.881 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.541 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.94 145.37 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.828 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.772 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -62.06 -19.92 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 72.04 111.16 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.51 -39.94 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 131' ' ' LEU . 32.7 mm-40 -71.53 -44.75 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 63.55 110.91 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.998 HG23 HD11 ' A' ' 131' ' ' LEU . 6.4 p -51.46 -59.68 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 52.25 111.195 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -48.7 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.938 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -51.08 -61.86 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 71.33 110.924 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.456 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -51.59 -53.27 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 44.04 111.085 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.86 -33.64 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.118 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -74.84 -64.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.15 -34.8 46.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.92 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -67.82 -33.61 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.869 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.766 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.9 tp -65.53 -35.29 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 62.04 110.869 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.723 HE21 HD23 ' A' ' 144' ' ' LEU . 9.3 mp0 -104.38 34.47 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 54.3 110.937 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.03 111.092 179.939 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.803 0.335 . . . . 52.52 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -48.49 -31.93 7.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 73.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.85 -53.8 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.911 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.18 -29.69 17.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.94 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -46.38 53.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 64.45 110.929 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.684 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.0 ptmt -51.1 -50.07 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -60.77 -62.29 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.991 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.1 t -51.2 -53.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 70.33 111.147 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -46.52 25.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 75.53 110.896 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.842 HG12 HD23 ' A' ' 123' ' ' LEU . 91.1 t -66.72 -33.51 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.112 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.773 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.15 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 65.22 110.903 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -87.69 -19.12 28.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.876 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -81.42 -34.43 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.9 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . 0.41 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.04 -28.39 62.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.04 110.915 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -69.27 -76.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 73.35 112.492 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.68 -75.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 71.33 110.945 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -147.56 -174.56 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 64.14 110.89 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.94 164.67 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 50.04 111.124 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.2 pt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 73.03 111.132 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.8 0.333 . . . . 44.32 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -51.68 -29.02 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.864 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 91' ' ' THR . 21.7 mmtp -51.21 -26.79 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 70.52 110.904 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.45 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.888 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -66.08 -61.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.864 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -54.85 -41.93 71.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.935 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.81 HG21 ' CE2' ' B' ' 553' ' ' TYR . 65.9 p -59.63 -54.17 49.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 53.31 111.146 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.673 ' HD2' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -54.23 -45.59 72.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 75.23 110.886 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 97' ' ' THR . 31.0 tt0 -59.81 -45.7 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.888 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.49 -33.97 76.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 52.42 110.943 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -60.52 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 72.43 111.173 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.629 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.4 pp -55.58 -40.63 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -59.96 -52.38 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.23 111.173 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -28.28 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.915 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -72.66 -47.22 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.91 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -74.96 -42.15 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 64.35 110.903 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -68.97 -36.45 77.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.937 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -137.89 73.73 45.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 73.3 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 107.64 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 74.22 112.336 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.546 ' OE1' HD12 ' A' ' 115' ' ' LEU . 7.8 tp60 -73.84 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.924 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.92 -35.58 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.935 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.4 tpt -75.89 -23.46 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 62.3 110.889 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -89.42 -44.62 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -156.36 105.57 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 72.53 110.842 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -51.73 -36.19 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 73.22 110.83 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -70.26 -41.2 73.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 73.11 110.928 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.651 ' OD2' HD21 ' A' ' 144' ' ' LEU . 11.9 t0 -62.04 -42.13 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.47 -48.85 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 62.45 110.913 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -60.26 -56.01 26.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 62.52 110.867 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.88 -43.94 63.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 72.44 110.898 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.716 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.61 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 72.35 110.901 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -61.84 -59.45 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 75.03 110.923 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.3 t -54.68 -47.22 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.24 111.159 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.705 ' O ' HG13 ' A' ' 122' ' ' VAL . 9.8 tp10 -65.05 -35.23 80.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.872 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.864 ' O ' HD23 ' A' ' 123' ' ' LEU . 7.9 t80 -68.93 -26.57 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 75.54 110.814 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -82.95 -30.15 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.949 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -81.52 -32.01 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.946 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 118' ' ' GLU . 35.0 m -72.43 -14.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 71.34 111.109 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 119' ' ' PHE . 2.1 mm? -80.55 -40.5 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.915 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -93.12 -29.45 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -43.89 -60.49 2.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.737 0.779 . . . . 64.13 110.963 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.74 158.34 57.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.684 2.256 . . . . 61.24 112.391 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.87 -16.55 56.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 51.41 112.501 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.7 m -81.79 51.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 75.43 110.842 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -21.98 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 70.44 110.837 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -86.4 24.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 62.11 110.878 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.685 HD11 HG22 ' A' ' 136' ' ' THR . 3.9 pp -82.32 164.56 21.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 65.34 110.927 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -75.3 146.53 40.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.794 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.655 HD13 ' HB ' ' A' ' 91' ' ' THR . 0.6 OUTLIER -56.11 -34.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 72.04 111.14 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.92 -35.52 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 75.12 110.931 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.653 ' HB2' HD13 ' A' ' 131' ' ' LEU . 24.0 mm-40 -76.28 -34.73 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.55 110.951 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.685 HG22 HD11 ' A' ' 131' ' ' LEU . 18.2 p -59.53 -50.22 74.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 52.25 111.144 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.5 mt -74.08 -45.06 51.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.843 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 138' ' ' LEU . 10.4 tt -58.17 -45.34 87.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.841 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.05 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 44.04 111.07 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -55.91 -35.21 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.089 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -71.55 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.12 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -55.2 -37.08 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 65.25 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -66.24 -33.45 75.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.716 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.5 tp -63.75 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 62.04 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.707 HE21 HD23 ' A' ' 144' ' ' LEU . 9.5 mp0 -104.51 34.02 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 54.3 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.03 111.062 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.833 0.349 . . . . 52.52 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.22 -31.62 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.877 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -49.29 -53.08 23.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 75.25 110.935 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.15 -29.13 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.921 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -47.6 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 64.45 110.882 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -48.92 -50.51 34.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.831 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.598 ' CH2' HD22 ' A' ' 115' ' ' LEU . 63.4 m95 -60.39 -60.86 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 72.04 110.973 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.673 HG21 ' HD2' ' A' ' 92' ' ' LYS . 60.3 t -52.83 -57.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.164 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -37.97 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.39 -42.56 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.151 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.81 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.3 -41.25 88.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.97 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.7 pp -83.65 -27.63 28.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.96 -33.68 66.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.894 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . 0.734 ' CD ' HD12 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -84.05 -31.99 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 73.04 110.854 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.16 -70.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 73.35 112.508 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -144.76 -49.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 71.33 110.944 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -169.78 178.55 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.14 110.9 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.36 161.69 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 50.04 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 73.03 111.193 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.771 0.319 . . . . 44.32 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.82 -27.99 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 91' ' ' THR . 31.6 mmtm -50.78 -27.34 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 70.52 110.879 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.96 -31.49 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -67.85 -58.97 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.907 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.16 -39.52 72.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.871 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.772 HG21 ' CE2' ' B' ' 553' ' ' TYR . 70.0 p -63.12 -54.95 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 53.31 111.112 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.539 ' HD2' HG21 ' B' ' 550' ' ' VAL . 3.5 tptm -53.19 -48.77 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 75.23 110.955 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 97' ' ' THR . 9.5 tt0 -59.34 -44.99 92.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.862 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -61.01 -34.25 74.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 52.42 110.945 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.43 111.022 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.599 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.6 pp -54.47 -35.21 62.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.91 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.503 ' N ' HD12 ' A' ' 96' ' ' LEU . 18.2 p -67.4 -44.92 77.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 75.23 111.183 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.3 63.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.847 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -84.12 -33.8 24.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 64.11 110.779 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -82.72 -37.04 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.06 -40.04 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 74.32 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -127.86 66.05 69.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 73.3 110.821 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 75.81 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.616 2.211 . . . . 74.22 112.361 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -81.12 -30.64 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.421 ' HE1' HD13 ' A' ' 115' ' ' LEU . 7.8 m-85 -70.41 -25.86 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.899 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -23.06 59.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 62.3 110.876 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.19 -34.62 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 71.14 110.853 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -131.91 94.15 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.804 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -67.58 -41.46 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.928 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.66 -40.46 60.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.862 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 -40.55 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.844 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -51.84 -48.79 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.922 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.85 -57.32 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 62.52 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -52.78 -44.69 66.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.84 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.71 HD12 HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.57 -36.49 84.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 72.35 110.967 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.1 ttp -63.98 -59.25 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.93 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -54.34 -46.85 72.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.24 111.124 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.733 ' O ' HG13 ' A' ' 122' ' ' VAL . 29.0 mt-10 -65.06 -42.23 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.914 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 16.7 t80 -61.22 -28.96 69.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.54 110.874 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.453 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.3 mtpt -81.8 -31.81 31.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.1 110.929 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -33.83 37.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 118' ' ' GLU . 20.3 m -73.16 -14.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 71.34 111.136 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.821 HD23 HG12 ' B' ' 552' ' ' VAL . 0.2 OUTLIER -82.77 -34.41 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.919 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.33 -28.12 17.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.954 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.3 tp10 -47.81 -59.79 5.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.681 0.753 . . . . 64.13 110.928 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.78 154.28 67.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 61.24 112.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.37 -15.41 57.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 51.41 112.469 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.492 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.6 p -83.03 49.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 75.43 110.809 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -18.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.893 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -88.42 24.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 62.11 110.839 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.096 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -87.16 163.28 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 65.34 110.905 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -62.86 140.75 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.812 -179.866 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.79 HD12 ' CG ' ' B' ' 553' ' ' TYR . 8.4 tt -58.94 -20.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 72.04 111.128 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -37.5 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.12 110.94 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.721 ' HB2' HD13 ' A' ' 131' ' ' LEU . 30.9 mm-40 -71.95 -43.71 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.55 110.818 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.096 HG23 HD11 ' A' ' 131' ' ' LEU . 1.3 p -53.49 -57.14 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 52.25 111.166 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.51 -49.71 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.936 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.22 -46.61 62.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.33 110.921 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.412 ' HB1' ' HE ' ' A' ' 143' ' ' ARG . . . -63.76 -49.2 73.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 44.04 111.067 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.17 -37.66 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 73.32 111.191 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -68.67 -61.83 1.65 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.13 -0.486 . . . . 71.12 110.897 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.66 -39.9 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 65.25 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.412 ' HE ' ' HB1' ' A' ' 139' ' ' ALA . 4.0 mtt180 -64.14 -33.78 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.21 110.877 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.713 HD23 HE21 ' A' ' 145' ' ' GLN . 9.6 tp -63.92 -35.66 81.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 62.04 110.863 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.713 HE21 HD23 ' A' ' 144' ' ' LEU . 9.1 mp0 -105.47 34.63 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 54.3 110.882 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.089 179.894 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 52.52 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -49.04 -31.74 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.896 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.62 -52.0 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.95 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -91.94 -29.3 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.934 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.21 -45.51 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.972 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.684 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -50.73 -51.73 47.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.849 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.531 ' CH2' HD22 ' A' ' 115' ' ' LEU . 75.2 m95 -60.46 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 72.04 110.901 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.539 HG21 ' HD2' ' A' ' 92' ' ' LYS . 59.2 t -50.44 -54.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.112 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -45.43 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.821 HG12 HD23 ' A' ' 123' ' ' LEU . 97.0 t -67.16 -35.7 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.121 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.79 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -60.67 -44.55 96.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 65.22 110.89 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.25 -25.84 29.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -74.8 -33.46 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.25 110.864 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -32.12 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.04 110.859 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -57.92 -77.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 73.35 112.507 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -132.69 -50.46 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 71.33 110.928 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -174.89 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.897 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.84 159.81 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 50.04 111.081 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.03 111.169 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.815 0.341 . . . . 44.32 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -51.76 -29.21 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.868 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 91' ' ' THR . 59.4 mmtt -51.36 -26.4 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 70.52 110.898 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.47 7.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 74.1 110.928 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -66.31 -61.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.908 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.6 -42.22 67.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.41 110.978 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.795 HG21 ' CE2' ' B' ' 553' ' ' TYR . 68.9 p -60.74 -52.54 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 53.31 111.211 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.407 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.5 tptp -53.85 -47.12 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.969 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HA ' HD21 ' A' ' 96' ' ' LEU . 3.2 tt0 -60.18 -44.44 95.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.933 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -62.82 -34.4 77.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 52.42 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -60.97 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.109 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.62 -38.65 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.92 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.604 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.5 p -63.01 -48.12 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.176 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -25.9 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.831 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -80.02 -35.24 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 64.11 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.04 -37.13 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 64.35 110.914 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -74.68 -36.56 62.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -133.23 68.09 77.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 73.3 110.794 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 73.58 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 74.22 112.34 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.51 -34.85 51.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.93 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -53.33 -31.52 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 72.42 110.908 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.0 ttm -86.78 -23.59 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 62.3 110.893 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -78.73 -44.87 22.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.87 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -156.09 114.14 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.53 110.824 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -51.76 -35.3 43.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 73.22 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.15 -40.94 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 73.11 110.87 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.29 -37.26 69.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.78 -49.17 66.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.32 -49.65 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 72.44 110.948 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.746 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.23 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.922 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 75.03 110.951 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.8 t -55.95 -45.31 78.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.24 111.124 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.719 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.8 tt0 -65.59 -42.77 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 73.11 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.68 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 18.9 t80 -61.37 -29.29 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.894 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.413 ' HG3' HG11 ' B' ' 552' ' ' VAL . 16.0 mtpt -82.0 -32.9 30.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 75.1 110.899 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -78.72 -34.41 45.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.898 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 118' ' ' GLU . 21.7 m -73.3 -16.47 17.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 71.34 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.793 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -81.14 -36.38 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.921 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.9 mt -92.07 -7.86 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.973 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -65.49 -60.54 7.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 64.13 110.903 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.71 158.8 55.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 61.24 112.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.29 -19.87 44.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 51.41 112.485 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.3 m -82.9 50.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 75.43 110.858 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -51.93 -20.89 2.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 70.44 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -85.36 24.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.929 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.141 HD11 HG23 ' A' ' 136' ' ' THR . 4.0 pp -84.69 164.02 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 65.34 110.937 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.493 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -62.02 140.64 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.84 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.798 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.5 tt -59.59 -20.53 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 72.04 111.111 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -66.45 -38.08 86.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.937 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.736 ' HB2' HD13 ' A' ' 131' ' ' LEU . 32.3 mm-40 -71.04 -44.46 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 63.55 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.141 HG23 HD11 ' A' ' 131' ' ' LEU . 1.8 p -53.46 -58.33 7.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 52.25 111.141 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.427 HD23 ' CE2' ' A' ' 119' ' ' PHE . 48.4 mt -62.68 -49.36 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.896 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.42 -47.37 63.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.67 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 44.04 111.087 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -54.95 -40.2 69.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 73.32 111.109 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -64.38 -63.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.867 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.13 -38.42 65.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.436 . . . . 65.25 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -64.44 -33.74 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.2 tp -64.82 -35.09 79.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.944 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.61 HE21 HD23 ' A' ' 144' ' ' LEU . 9.5 mp0 -104.62 34.17 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 54.3 110.932 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.099 179.85 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 52.52 110.836 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -48.46 -32.04 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.54 110.878 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -52.45 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -91.9 -30.65 16.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.895 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . 0.474 ' N ' HD12 ' B' ' 546' ' ' LEU . 0.5 OUTLIER -51.8 -46.25 64.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 64.45 110.936 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.702 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.1 ptmt -49.81 -51.38 40.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.868 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -59.53 -61.74 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.407 HG21 ' HD2' ' A' ' 92' ' ' LYS . 57.5 t -51.39 -55.75 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 70.33 111.108 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.06 -43.3 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.793 HG12 HD23 ' A' ' 123' ' ' LEU . 85.5 t -67.91 -38.17 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 73.21 111.129 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.798 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -59.25 -45.74 90.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 65.22 110.943 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -81.28 -27.03 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.66 -32.96 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.906 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.39 -32.12 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 73.04 110.874 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.42 -76.91 0.2 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 73.35 112.496 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -65.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 71.33 110.833 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -162.2 -176.38 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 64.14 110.87 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -69.21 154.98 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 50.04 111.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.3 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.08 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 44.32 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -51.55 -29.44 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 72.23 110.909 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.33 -26.27 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 70.52 110.91 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -48.43 -32.24 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 74.1 110.922 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -68.27 -55.75 11.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -55.39 -46.33 76.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.807 ' HB ' HD13 ' A' ' 133' ' ' ILE . 48.9 p -60.34 -51.44 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 53.31 111.179 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HD3' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -52.48 -50.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.933 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -58.76 -44.44 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.895 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.61 -34.68 77.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 52.42 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.72 -60.82 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.43 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 97' ' ' THR . 2.4 pp -54.84 -39.84 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.41 110.881 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.598 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.4 p -61.47 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.173 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -26.9 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.841 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -76.36 -42.79 43.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 64.11 110.849 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.0 -43.04 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 64.35 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -69.04 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -138.01 73.97 44.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.528 0.68 . . . . 73.3 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.03 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 74.22 112.364 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.663 ' NE2' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -60.78 -36.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.42 110.937 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -67.87 -36.0 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.933 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 30.8 tpp -74.62 -23.71 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 62.3 110.939 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -86.94 -48.19 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.902 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -156.25 139.12 15.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 72.53 110.803 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -71.75 -36.56 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 73.22 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.22 -39.88 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.462 ' OD2' HD21 ' A' ' 144' ' ' LEU . 9.5 t70 -54.66 -52.63 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.845 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.31 -51.27 62.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 62.45 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -57.47 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 62.52 110.901 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -52.1 -42.5 63.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.917 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.727 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.85 -38.03 89.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.869 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -64.46 -58.93 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.6 t -53.59 -46.19 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 75.24 111.151 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.729 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.7 mm-40 -66.52 -42.19 87.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.656 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 19.3 t80 -60.26 -29.27 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.889 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.429 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.6 mtpt -82.71 -33.59 27.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.1 110.873 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.77 -33.33 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 75.21 110.928 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 118' ' ' GLU . 19.8 m -74.72 -16.43 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.34 111.075 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.789 HD23 HG12 ' B' ' 552' ' ' VAL . 0.4 OUTLIER -81.21 -35.52 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.902 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.39 -7.74 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -66.01 -60.75 6.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 64.13 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.74 158.65 56.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.737 2.291 . . . . 61.24 112.332 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.21 -19.54 45.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 51.41 112.468 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.544 ' O ' HD23 ' A' ' 131' ' ' LEU . 15.0 m -83.14 50.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 75.43 110.828 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -51.64 -20.98 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 70.44 110.898 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -85.78 24.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 62.11 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.08 HD11 HG23 ' A' ' 136' ' ' THR . 4.0 pp -84.75 163.88 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.952 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -63.27 141.0 58.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.904 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.807 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.4 tt -58.87 -20.91 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 72.04 111.175 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -64.54 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.948 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.76 ' HB2' HD13 ' A' ' 131' ' ' LEU . 33.0 mm-40 -72.15 -45.98 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 63.55 110.939 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.08 HG23 HD11 ' A' ' 131' ' ' LEU . 3.0 p -51.64 -56.34 14.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 52.25 111.131 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.42 HD23 ' CE2' ' A' ' 119' ' ' PHE . 64.9 mt -65.42 -45.99 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 73.04 110.887 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 139' ' ' ALA . 3.0 tt -51.76 -53.31 41.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 71.33 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.467 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -62.55 -48.09 81.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 44.04 111.139 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.69 -34.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.078 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -72.48 -61.37 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -55.67 -33.95 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 65.25 110.882 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -68.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.834 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.736 HD23 HE21 ' A' ' 145' ' ' GLN . 13.1 tp -64.42 -35.47 81.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 62.04 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.736 HE21 HD23 ' A' ' 144' ' ' LEU . 9.3 mp0 -104.37 34.07 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 54.3 110.971 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.086 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.839 0.352 . . . . 52.52 110.911 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -44.86 -32.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -47.79 -56.4 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.966 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.565 HD12 ' N ' ' B' ' 547' ' ' GLN . 4.4 pp -92.27 -32.93 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.914 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . 0.565 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.4 tt0 -50.4 -46.48 56.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.45 110.898 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.704 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.7 ptmt -49.38 -51.42 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.547 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.1 m95 -59.0 -60.23 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.896 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.536 HG12 HD23 ' B' ' 554' ' ' LEU . 58.2 t -51.93 -55.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 70.33 111.117 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -46.25 -41.45 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.789 HG12 HD23 ' A' ' 123' ' ' LEU . 89.4 t -68.89 -39.09 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.21 111.116 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.793 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -60.91 -45.54 94.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.998 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.536 HD23 HG12 ' B' ' 550' ' ' VAL . 0.8 OUTLIER -78.83 -27.69 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 74.44 110.948 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.63 -32.93 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.887 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.84 -32.39 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.885 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.18 -74.66 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 73.35 112.497 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -136.97 -49.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 71.33 110.949 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.49 174.23 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.889 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.1 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 50.04 111.122 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 73.03 111.091 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.815 0.34 . . . . 44.32 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -53.59 -27.43 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.595 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -50.53 -27.83 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 70.52 110.874 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.95 -31.48 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.964 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.38 -61.58 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.939 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.72 -38.11 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.764 HG21 ' CE2' ' B' ' 553' ' ' TYR . 63.5 p -62.39 -55.82 24.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 53.31 111.147 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.0 tptm -55.12 -43.13 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.912 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HA ' HD21 ' A' ' 96' ' ' LEU . 40.3 tt0 -61.43 -45.29 94.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.41 110.872 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.97 -34.64 77.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 52.42 110.88 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.9 -60.68 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 72.43 111.09 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.76 -38.86 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 71.41 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.593 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.4 p -62.84 -48.02 80.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 75.23 111.136 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.699 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -70.92 -26.9 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 70.44 110.918 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -79.11 -37.65 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 64.11 110.894 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -81.92 -36.71 27.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 64.35 110.922 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.96 -39.44 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -132.13 67.63 79.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 73.3 110.878 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.41 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.736 2.291 . . . . 74.22 112.377 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.78 -36.84 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.42 110.965 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.99 -33.39 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.902 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.2 mtt -74.61 -23.61 58.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 62.3 110.866 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -87.25 -46.46 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 71.14 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.81 117.66 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.883 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -55.67 -36.63 67.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.03 -58.75 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -52.05 -46.86 65.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 62.45 110.907 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.56 -59.2 4.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.927 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -51.78 -43.71 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 72.44 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.775 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -64.08 -38.17 90.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.35 110.9 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.22 -59.93 4.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.03 110.894 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.1 t -52.78 -47.09 67.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.191 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.718 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.6 tm-20 -65.92 -41.15 91.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.852 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.566 ' O ' HD13 ' A' ' 123' ' ' LEU . 8.0 t80 -62.39 -24.9 67.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.462 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.2 mtpp -84.45 -35.53 22.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.96 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -77.17 -31.14 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.964 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 118' ' ' GLU . 25.3 m -74.8 -13.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 71.34 111.122 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.84 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.68 -35.08 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 74.02 110.929 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.31 -29.72 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.977 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.6 tt0 -47.99 -60.21 4.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.668 0.747 . . . . 64.13 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.9 Cg_endo -69.73 154.62 67.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 61.24 112.389 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.67 -15.69 56.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 51.41 112.518 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.495 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.9 m -82.23 49.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 75.43 110.844 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.89 -19.83 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.902 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -86.58 24.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 62.11 110.865 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.08 HD11 HG23 ' A' ' 136' ' ' THR . 4.4 pp -87.33 161.3 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 65.34 110.928 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.417 ' O ' HD12 ' A' ' 131' ' ' LEU . 1.8 m -62.37 140.39 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.877 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.762 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.5 tt -58.23 -20.81 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 72.04 111.154 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.43 -36.21 82.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.12 110.924 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.72 ' HB2' HD13 ' A' ' 131' ' ' LEU . 30.7 mm-40 -73.45 -43.34 60.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.905 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.08 HG23 HD11 ' A' ' 131' ' ' LEU . 1.4 p -53.29 -55.44 24.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 52.25 111.167 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 98' ' ' PHE . 4.8 tp -66.78 -48.8 67.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.929 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.88 -50.33 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.31 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 44.04 111.067 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.567 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.49 -42.01 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.113 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -66.43 -62.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 71.12 110.917 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.19 -35.13 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 65.25 110.864 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.5 mtt-85 -69.2 -32.96 72.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.775 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.8 tp -62.7 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.934 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.651 HE21 HD23 ' A' ' 144' ' ' LEU . 9.5 mp0 -104.78 33.73 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 54.3 110.905 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.146 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.788 0.328 . . . . 52.52 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -48.79 -31.93 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.832 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -52.89 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.923 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.5 pp -91.14 -29.1 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.932 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -46.19 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.886 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.9 ptmt -51.2 -50.66 58.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.859 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -60.01 -62.22 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.889 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.577 HG21 ' HD2' ' A' ' 92' ' ' LYS . 52.9 t -51.36 -54.0 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.178 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -43.84 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.9 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.84 HG12 HD23 ' A' ' 123' ' ' LEU . 96.0 t -68.62 -35.67 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 73.21 111.131 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.764 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.61 -43.99 93.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 65.22 110.874 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -85.27 -26.67 26.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.864 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -73.48 -33.46 64.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.865 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -31.74 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.883 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.91 -80.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 73.35 112.51 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -131.43 -50.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 71.33 110.921 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.83 -169.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -63.91 163.73 11.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 50.04 111.102 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.133 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.828 0.347 . . . . 44.32 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -85.19 -30.16 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.869 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -25.47 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 70.52 110.904 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.23 -32.32 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -67.91 -55.17 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.939 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -54.18 -44.37 71.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.913 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.808 HG21 ' CE2' ' B' ' 553' ' ' TYR . 32.2 p -62.77 -49.86 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 53.31 111.138 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.668 ' HG3' HD11 ' B' ' 546' ' ' LEU . 1.7 tptm -52.98 -49.94 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.895 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 96' ' ' LEU . 83.8 tt0 -61.45 -45.16 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.901 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.42 -34.54 76.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 52.42 110.884 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.59 ' HB3' HD12 ' B' ' 546' ' ' LEU . . . -68.09 -60.48 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.195 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' B' ' 546' ' ' LEU . 2.9 pp -54.99 -38.07 67.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.927 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.597 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -64.0 -46.87 82.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.148 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -26.13 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.848 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -80.82 -35.0 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.892 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -84.56 -36.86 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.919 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -74.45 -38.56 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -132.72 67.3 78.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 73.3 110.848 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 74.22 112.331 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.09 -40.82 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -56.06 -34.17 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.915 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 tpt -74.49 -23.53 58.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 62.3 110.949 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -87.5 -40.13 14.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -156.2 103.98 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.823 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -51.26 -39.49 56.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 73.22 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.66 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 73.11 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.79 -46.3 91.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -52.28 -47.97 65.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 62.45 110.85 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.13 -59.67 4.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 62.52 110.891 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -52.39 -41.6 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.947 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.754 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.83 -39.36 93.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.35 110.872 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.51 -58.87 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.905 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.5 t -53.56 -46.75 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 75.24 111.141 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.71 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.5 tp10 -65.99 -41.89 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.576 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.1 t80 -62.12 -27.79 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.864 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.517 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.6 mtpp -83.13 -31.51 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.1 110.906 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -80.8 -33.64 34.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 75.21 110.861 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 118' ' ' GLU . 26.8 m -72.07 -14.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 71.34 111.178 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.85 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -82.81 -41.81 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.892 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.6 tp -93.14 -8.44 42.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.846 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.5 tp10 -64.78 -60.71 7.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 64.13 110.864 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.75 164.99 32.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 61.24 112.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -21.01 39.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.68 -0.772 . . . . 51.41 112.41 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.511 ' O ' HD23 ' A' ' 131' ' ' LEU . 64.0 m -83.48 49.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 75.43 110.852 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -21.95 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 70.44 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.17 24.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 62.11 110.819 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.072 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -82.14 163.75 21.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.9 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.483 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.62 141.67 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.861 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.715 HD13 ' HB ' ' A' ' 91' ' ' THR . 2.0 tt -59.6 -20.24 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 72.04 111.119 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -65.68 -36.99 85.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 131' ' ' LEU . 29.8 mm-40 -73.94 -43.18 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.935 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.072 HG23 HD11 ' A' ' 131' ' ' LEU . 3.4 p -53.2 -52.12 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 52.25 111.109 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 119' ' ' PHE . 61.0 mt -69.28 -50.01 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.04 110.935 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.65 -51.91 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 71.33 110.99 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.09 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 44.04 111.087 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -54.0 -35.0 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.089 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -71.73 -62.76 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 71.12 110.804 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.83 -36.39 62.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 65.25 110.899 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -65.25 -34.09 77.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.754 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.6 tp -64.54 -36.38 84.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 62.04 110.922 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.736 HE21 HD23 ' A' ' 144' ' ' LEU . 9.4 mp0 -102.42 33.29 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 54.3 110.944 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.074 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . 0.696 ' O ' HD23 ' B' ' 546' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.895 0.378 . . . . 52.52 110.919 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -45.53 -30.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.853 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -48.36 -57.32 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.25 110.956 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.696 HD23 ' O ' ' B' ' 543' ' ' ASP . 1.4 pt? -91.72 -30.09 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.864 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.38 -46.56 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 64.45 110.928 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.687 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.0 ptmt -49.89 -51.26 41.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 74.23 110.875 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.595 ' CH2' HD22 ' A' ' 115' ' ' LEU . 68.9 m95 -59.42 -60.43 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 72.04 110.87 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 77.1 t -51.38 -53.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 70.33 111.14 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -41.77 29.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.53 110.871 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.85 HG12 HD23 ' A' ' 123' ' ' LEU . 87.2 t -70.33 -33.66 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.21 111.122 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.808 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -63.92 -40.76 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 65.22 110.937 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.82 -26.36 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.901 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.8 -34.4 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.9 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . 0.663 ' NH1' HG21 ' A' ' 136' ' ' THR . 0.0 OUTLIER -70.99 -29.01 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.895 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -62.09 -80.08 0.12 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.747 . . . . 73.35 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.66 -76.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 71.33 110.923 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -95.43 -166.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 64.14 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -126.58 163.77 22.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 50.04 111.086 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.6 pt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.157 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.754 0.311 . . . . 44.32 110.854 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.893 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -51.57 -25.81 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 70.52 110.963 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -47.71 -32.54 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 74.1 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -59.59 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 72.22 110.867 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -55.91 -47.67 77.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.881 HG22 HG21 ' A' ' 133' ' ' ILE . 80.8 p -58.28 -54.65 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 53.31 111.155 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.14 63.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.88 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' HA ' HD21 ' A' ' 96' ' ' LEU . 42.4 tt0 -61.12 -44.9 96.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 74.41 110.884 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.14 -34.78 77.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 52.42 110.817 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 72.43 111.169 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.93 -38.37 67.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.913 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -63.31 -47.32 82.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 75.23 111.182 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.78 -26.49 62.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 70.44 110.855 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -79.89 -35.63 37.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 64.11 110.831 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -84.38 -36.5 22.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.35 110.901 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -74.15 -39.86 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -132.08 67.18 78.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.612 0.72 . . . . 73.3 110.874 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.74 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.697 2.265 . . . . 74.22 112.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.1 -28.18 69.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.42 110.94 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -71.28 -28.04 63.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 16.1 mtp -74.1 -23.48 59.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.911 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.36 -35.84 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 71.14 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.7 m -150.13 126.77 10.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.865 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -77.45 -36.96 52.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.875 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.41 -39.61 85.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 73.11 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.574 ' OD2' HD21 ' A' ' 144' ' ' LEU . 4.2 t70 -57.04 -48.78 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.904 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -54.71 -40.8 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 62.45 110.897 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.25 -59.91 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 62.52 110.859 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -52.58 -41.05 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.871 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 72.35 110.914 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -65.07 -58.56 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 75.03 110.911 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -53.12 -46.51 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 75.24 111.143 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.9 tt0 -67.2 -39.81 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.915 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.599 ' O ' HD22 ' A' ' 123' ' ' LEU . 16.3 t80 -62.71 -28.16 69.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 75.54 110.77 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.436 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.7 mtpt -83.75 -33.83 24.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 75.1 110.914 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.95 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 118' ' ' GLU . 32.6 m -74.17 -14.4 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 71.34 111.128 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.823 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.42 -37.46 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.942 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.37 -29.28 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.959 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.2 tp10 -47.29 -59.93 4.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 64.13 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.73 156.38 63.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 61.24 112.385 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.36 -20.15 42.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 51.41 112.475 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.462 ' O ' HD23 ' A' ' 131' ' ' LEU . 65.4 m -85.51 47.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 75.43 110.82 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -15.37 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 70.44 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -73.62 -3.86 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.841 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.006 HD11 HG23 ' A' ' 136' ' ' THR . 3.7 pp -64.17 159.44 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.926 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.64 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -59.47 168.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.914 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.881 HG21 HG22 ' A' ' 91' ' ' THR . 7.4 tt -79.18 -20.07 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 72.04 111.126 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -66.95 -38.88 86.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.457 ' HB2' HD13 ' A' ' 131' ' ' LEU . 2.6 mt-30 -71.13 -39.47 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 63.55 110.881 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.006 HG23 HD11 ' A' ' 131' ' ' LEU . 1.2 p -59.94 -58.36 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 52.25 111.145 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -61.77 -44.66 96.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.945 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 138' ' ' LEU . 8.2 tt -58.42 -51.78 68.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.947 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.27 -53.43 57.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 44.04 111.04 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -51.93 -52.13 52.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.104 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -53.22 -59.32 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 71.12 110.87 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -55.62 -36.52 67.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 65.25 110.869 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -66.77 -33.46 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 72.21 110.825 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.723 HD23 HE21 ' A' ' 145' ' ' GLN . 13.1 tp -64.8 -36.33 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 62.04 110.949 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.723 HE21 HD23 ' A' ' 144' ' ' LEU . 9.3 mp0 -104.59 34.75 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 54.3 110.965 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 73.03 111.082 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.765 0.317 . . . . 52.52 110.811 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -48.98 -32.05 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.889 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -49.58 -52.63 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -91.07 -29.09 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 71.42 110.948 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -47.5 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.973 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.718 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.4 ptmt -49.25 -52.0 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.86 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.557 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.9 m95 -59.28 -61.43 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.04 110.93 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.555 HG12 HD23 ' B' ' 554' ' ' LEU . 59.0 t -51.56 -56.45 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 70.33 111.164 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -44.97 -43.49 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.823 HG12 HD23 ' A' ' 123' ' ' LEU . 94.4 t -67.38 -40.26 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 73.21 111.169 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.805 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 65.22 110.912 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.555 HD23 HG12 ' B' ' 550' ' ' VAL . 1.1 pp -78.78 -27.82 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.861 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.06 -33.34 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.895 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -31.02 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.908 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -68.43 -37.03 85.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 73.35 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.03 -75.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 71.33 110.823 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.1 -174.28 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.81 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.54 154.15 42.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 50.04 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . 0.427 HG12 HD13 ' B' ' 554' ' ' LEU . 14.8 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.112 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.735 0.302 . . . . 44.32 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.12 -28.62 18.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -27.24 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 70.52 110.903 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.75 -31.51 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 74.1 110.92 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -67.87 -58.57 4.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.886 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.918 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.901 HG22 HG21 ' A' ' 133' ' ' ILE . 71.9 p -58.14 -53.58 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 53.31 111.086 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.466 ' HE2' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -51.35 -49.39 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 75.23 110.901 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -58.21 -48.3 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.884 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.02 -35.42 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 52.42 110.923 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.83 -60.66 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.096 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 97' ' ' THR . 2.7 pp -56.1 -37.34 69.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.9 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.607 ' N ' HD12 ' A' ' 96' ' ' LEU . 20.2 p -63.53 -48.15 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.114 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -27.38 62.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 70.44 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -78.25 -36.28 47.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 64.11 110.897 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -83.46 -40.26 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 64.35 110.885 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -71.42 -37.72 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.807 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -134.29 71.0 72.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.56 0.695 . . . . 73.3 110.879 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 83.79 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 74.22 112.367 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.48 83.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.96 -32.47 70.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.937 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.8 mtt -74.71 -23.51 58.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 62.3 110.881 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -88.42 -45.62 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.09 117.44 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.869 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -51.75 -35.68 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.9 -41.56 78.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.11 110.864 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -52.69 -59.02 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 75.41 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.88 -48.9 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 62.45 110.937 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.96 -59.72 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 62.52 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -51.78 -42.12 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.783 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -63.58 -39.41 94.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.974 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.2 ttt -64.04 -60.73 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -50.77 -46.93 59.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.138 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.695 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.2 tp10 -67.05 -39.37 86.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.848 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.609 ' O ' HD13 ' A' ' 123' ' ' LEU . 9.7 t80 -62.06 -28.31 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.864 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -84.05 -34.32 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 75.1 110.927 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -76.72 -32.87 58.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 75.21 110.905 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.7 m -74.78 -14.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 71.34 111.122 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.783 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -84.52 -37.64 21.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 74.02 110.909 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 53.7 mt -92.21 -29.6 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.933 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.3 tp10 -47.23 -60.3 4.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 64.13 110.879 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 158.31 57.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 61.24 112.379 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.54 -21.7 36.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 51.41 112.428 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -86.27 48.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 75.43 110.904 -179.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -57.83 -16.38 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 70.44 110.857 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -74.26 -1.23 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.923 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 136' ' ' THR . 3.8 pp -63.77 163.82 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 65.34 110.952 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.511 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -67.69 152.36 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.869 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.901 HG21 HG22 ' A' ' 91' ' ' THR . 3.1 tt -64.79 -20.11 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 72.04 111.107 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.932 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.563 ' HB2' HD13 ' A' ' 131' ' ' LEU . 2.1 mt-30 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 63.55 110.924 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.718 ' HB ' HD11 ' A' ' 123' ' ' LEU . 28.2 p -51.0 -52.46 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 52.25 111.116 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -38.53 63.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.04 111.006 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 138' ' ' LEU . 0.3 OUTLIER -56.77 -46.7 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 71.33 110.903 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.82 -48.48 37.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 44.04 111.04 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.19 -38.07 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 73.32 111.078 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -72.82 -57.27 4.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.841 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HG3' HD12 ' A' ' 138' ' ' LEU . 14.8 mm-40 -56.0 -34.45 65.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 65.25 110.906 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -69.98 -32.7 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.21 110.888 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.783 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.0 tp -63.21 -34.75 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 62.04 110.924 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.677 HE21 HD23 ' A' ' 144' ' ' LEU . 9.3 mp0 -104.52 33.5 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 54.3 110.911 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.103 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 52.52 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.81 -31.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 73.54 110.864 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -47.61 -57.47 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.857 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 547' ' ' GLN . 4.6 pp -92.0 -32.58 15.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 71.42 110.948 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 547' ' ' GLN . . . . . 0.56 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.0 OUTLIER -49.0 -46.16 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.928 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 548' ' ' LYS . . . . . 0.658 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.8 ptmt -50.68 -49.89 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 74.23 110.904 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 549' ' ' TRP . . . . . 0.453 ' CH2' HD22 ' A' ' 115' ' ' LEU . 67.2 m95 -59.27 -59.56 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 72.04 110.943 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.466 HG21 ' HE2' ' A' ' 92' ' ' LYS . 43.3 t -53.45 -55.23 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 70.33 111.1 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -46.27 -42.28 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.839 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 552' ' ' VAL . . . . . 0.783 HG12 HD23 ' A' ' 123' ' ' LEU . 97.6 t -71.17 -36.85 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.155 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 553' ' ' TYR . . . . . 0.776 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.22 -45.06 92.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 65.22 110.979 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 560' ' ' ALA . 0.6 OUTLIER -81.58 -28.4 33.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.968 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.61 -32.81 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.918 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.894 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.76 -74.45 0.32 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.749 . . . . 73.35 112.472 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -136.74 -48.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.731 0.3 . . . . 71.33 110.91 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -174.71 176.83 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 64.14 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' B' ' 554' ' ' LEU . . . -66.2 160.33 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 50.04 111.095 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.03 111.135 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.883 0.373 . . . . 74.2 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -53.71 151.27 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.895 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 53.91 49.51 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.844 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -93.88 167.06 11.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 45.25 110.819 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.92 137.01 29.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 73.54 111.176 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.6 p -116.04 -49.36 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 65.05 110.829 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.54 166.44 2.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 70.1 110.948 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -129.62 -45.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 52.35 110.872 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -172.62 150.82 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 34.1 110.88 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.27 38.25 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 71.44 111.11 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.7 mt -106.89 77.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.121 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 t -96.2 81.43 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 61.02 110.871 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.4 t -111.36 -36.74 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.867 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m -96.99 136.69 37.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.52 110.823 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.4 tt -72.89 -34.66 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 74.14 111.073 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -52.43 -35.66 52.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 63.45 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.9 m -64.87 -47.56 77.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 44.32 110.925 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -52.09 -28.5 17.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -50.31 -27.8 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.98 -31.35 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.887 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.22 -61.27 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.883 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -56.49 -45.77 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.41 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.781 HG21 ' CE2' ' B' ' 553' ' ' TYR . 58.0 p -58.74 -55.48 34.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 53.31 111.118 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' HG3' HD13 ' B' ' 546' ' ' LEU . 10.4 ttmt -53.01 -43.67 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.915 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 96' ' ' LEU . 53.2 tt0 -61.11 -45.38 94.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.899 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -62.36 -34.69 77.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 52.42 110.908 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.66 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.124 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.88 -38.57 67.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.923 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.591 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.0 p -63.11 -47.52 82.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 75.23 111.147 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -26.99 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.86 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -79.45 -35.65 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.72 -39.03 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 64.35 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.15 -38.81 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.856 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -133.6 69.61 76.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 73.3 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 73.27 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.743 2.295 . . . . 74.22 112.393 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.54 ' OE1' HD12 ' A' ' 115' ' ' LEU . 6.1 tt0 -53.29 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 72.42 110.873 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -54.68 -34.24 62.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 72.42 110.945 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.4 tpt -78.84 -23.67 44.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 62.3 110.876 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -80.62 -47.9 13.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 71.14 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.54 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.874 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -30.06 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 73.22 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.21 -37.74 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 73.11 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.69 -59.1 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.83 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -51.86 -40.09 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 62.45 110.902 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -60.14 -59.94 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 62.52 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -52.39 -40.68 62.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.743 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -64.52 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.967 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.3 ttt -64.63 -58.89 5.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.921 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -52.45 -46.78 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 75.24 111.132 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.689 ' O ' HG13 ' A' ' 122' ' ' VAL . 36.2 mt-10 -67.43 -38.89 85.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.861 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.616 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 21.2 t80 -61.73 -29.76 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 75.54 110.861 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HG3' HG11 ' B' ' 552' ' ' VAL . 23.1 mtpt -83.14 -34.95 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 75.1 110.977 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -75.5 -33.83 60.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 75.21 110.972 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.1 m -74.91 -14.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 71.34 111.141 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.796 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.06 -33.08 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.896 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.38 -30.82 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.907 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -48.5 -60.24 4.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 64.13 110.855 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.3 Cg_endo -69.76 154.02 68.24 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.686 2.257 . . . . 61.24 112.336 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.62 -18.45 48.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 51.41 112.506 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 131' ' ' LEU . 18.8 m -82.67 50.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 75.43 110.811 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -54.95 -17.95 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 70.44 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -85.81 24.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 62.11 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.096 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -86.74 163.96 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 65.34 110.931 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.505 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -62.28 140.37 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.858 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.76 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.9 tt -59.56 -20.16 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 72.04 111.14 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.93 -37.02 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.899 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.737 ' HB2' HD13 ' A' ' 131' ' ' LEU . 28.8 mm-40 -72.96 -42.92 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 63.55 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.096 HG23 HD11 ' A' ' 131' ' ' LEU . 2.1 p -53.67 -55.66 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 52.25 111.067 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -46.34 74.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -53.11 47.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.896 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.1 94.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 44.04 111.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.596 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -60.19 -32.95 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.143 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -74.33 -62.71 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 71.12 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -35.11 48.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -68.45 -33.26 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.84 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.743 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.6 tp -63.11 -35.52 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 62.04 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.725 HE21 HD23 ' A' ' 144' ' ' LEU . 9.3 mp0 -103.89 33.69 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 54.3 110.898 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -93.22 142.59 27.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.016 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.04 110.93 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.708 0.289 . . . . 52.22 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.37 179.45 5.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 50.3 110.891 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.04 156.61 54.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 74.23 110.832 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -48.33 0.74 Allowed 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.792 2.328 . . . . 74.43 112.359 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.4 pp -172.11 178.63 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.902 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.411 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -112.48 97.27 39.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.568 0.699 . . . . 73.11 111.153 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 54.2 Cg_endo -69.73 150.98 69.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.728 2.286 . . . . 71.15 112.322 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.4 159.29 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.826 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -177.64 164.78 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.21 111.146 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 4.3 p -52.61 154.47 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.31 110.851 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -155.3 113.88 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 70.03 110.925 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 2.3 m 49.8 32.64 5.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.864 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 8.9 p -88.84 139.9 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 75.24 111.164 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -123.26 165.0 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.851 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -153.71 146.14 24.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 72.53 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.4 pt -121.08 123.2 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 70.53 111.115 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.9 pp -78.68 134.14 37.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.31 110.938 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -135.57 81.19 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 72.41 110.878 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -107.93 81.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 62.32 110.892 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 40.9 p -168.06 160.67 12.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.01 110.868 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 99.71 107.28 2.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.667 -0.777 . . . . 44.23 112.504 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -153.45 162.79 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 63.32 111.076 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -122.18 175.36 6.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 74.22 110.947 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 17.0 t -179.44 157.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 54.44 110.81 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 86.41 -74.42 2.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 64.24 112.481 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.69 -31.4 17.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.866 0.365 . . . . 52.52 110.86 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.87 -31.79 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.904 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -49.79 -53.26 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.97 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -90.66 -28.93 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.927 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -47.75 57.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.872 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.68 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.55 -50.56 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.952 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.54 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.5 m95 -59.55 -61.07 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.987 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.649 HG12 HD23 ' B' ' 554' ' ' LEU . 60.8 t -52.3 -56.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.119 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -42.73 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.918 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.796 HG12 HD23 ' A' ' 123' ' ' LEU . 70.1 t -67.98 -40.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 73.21 111.105 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.781 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.44 -45.72 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.924 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.649 HD23 HG12 ' B' ' 550' ' ' VAL . 1.1 pp -77.34 -27.13 52.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.897 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.848 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -32.71 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.862 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.73 -69.21 1.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 73.35 112.489 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.83 -49.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.723 0.297 . . . . 71.33 110.853 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -174.35 164.4 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 64.14 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.8 162.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 50.04 111.063 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.2 pt -151.95 133.88 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.147 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.93 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.4 ttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.813 0.34 . . . . 74.2 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.17 162.62 19.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.928 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -116.1 -179.51 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 71.13 110.866 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.3 t -134.89 -69.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 45.25 110.888 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.7 55.77 1.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 73.54 111.12 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -80.33 -174.55 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 65.05 110.865 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 tptm -139.27 160.99 38.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 70.1 110.889 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -133.71 -179.14 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 52.35 110.89 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.6 m -160.83 -178.21 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 34.1 110.829 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.12 124.55 40.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 71.44 111.088 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.1 mt -130.9 -39.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.181 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 p -52.08 160.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 61.02 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -132.18 -171.51 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.898 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 t -80.88 67.85 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.881 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.1 mm -90.81 -29.99 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.14 111.083 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -50.68 -32.75 20.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 63.45 110.851 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 p -52.45 -28.22 19.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 44.32 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -85.13 -30.57 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.913 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -51.71 -26.47 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 70.52 110.866 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.44 -31.5 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 74.1 110.919 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -61.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -54.76 -43.04 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.927 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.787 HG21 ' CE2' ' B' ' 553' ' ' TYR . 72.0 p -60.24 -55.43 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 53.31 111.138 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.445 ' HG3' HD13 ' B' ' 546' ' ' LEU . 0.3 OUTLIER -52.15 -46.63 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.23 110.868 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 97' ' ' THR . 3.0 tt0 -60.27 -45.29 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.943 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.03 -34.12 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 52.42 110.923 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.41 -60.7 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 72.43 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.602 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -55.19 -37.99 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.896 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.602 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -63.51 -48.75 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 75.23 111.175 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -25.73 62.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.822 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -80.3 -36.94 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 64.11 110.892 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.22 -36.29 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 64.35 110.902 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.34 -39.23 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.849 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -132.14 67.17 78.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 73.3 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 104.13 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.759 2.306 . . . . 74.22 112.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -36.21 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 72.42 110.884 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -60.94 -32.52 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.917 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.0 tpt -76.64 -23.66 53.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 62.3 110.886 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.69 -48.54 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.924 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.33 127.44 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 72.53 110.909 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -36.06 78.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.956 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.72 -42.4 97.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.512 ' OD2' HD21 ' A' ' 144' ' ' LEU . 3.6 t0 -58.54 -58.87 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -47.62 72.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -52.49 -59.76 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 62.52 110.829 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.36 -41.53 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.919 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.732 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.35 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 72.35 110.924 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.2 ttm -65.17 -58.98 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 75.03 110.84 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -52.76 -46.08 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 75.24 111.139 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.6 tp10 -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.875 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.6 ' O ' HD22 ' A' ' 123' ' ' LEU . 17.4 t80 -61.42 -29.27 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.857 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.415 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.7 mtpp -83.86 -35.26 24.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.942 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -75.44 -33.86 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.21 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.6 m -73.97 -14.83 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.34 111.169 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.81 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -84.92 -37.03 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 74.02 110.905 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.2 mt -92.29 -29.8 16.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.987 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.14 -60.04 4.53 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.615 0.722 . . . . 64.13 110.908 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 61.24 112.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 -19.45 46.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 51.41 112.54 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.475 ' O ' HD23 ' A' ' 131' ' ' LEU . 20.9 m -84.38 49.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 75.43 110.916 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -57.09 -17.46 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 70.44 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.83 23.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 62.11 110.882 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.767 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.3 pp -84.67 165.13 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 65.34 110.864 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.7 m -65.25 140.45 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.834 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.576 HG21 HG22 ' A' ' 91' ' ' THR . 1.0 OUTLIER -55.06 -32.01 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 72.04 111.129 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -52.37 -36.47 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.927 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 131' ' ' LEU . 26.9 mm-40 -76.26 -38.86 55.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 63.55 110.929 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.674 ' HB ' HD11 ' A' ' 123' ' ' LEU . 23.0 p -54.65 -50.73 67.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 52.25 111.128 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.515 HD23 ' CE2' ' A' ' 119' ' ' PHE . 79.4 mt -74.06 -48.59 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.911 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.3 tt -51.77 -47.29 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 71.33 110.931 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.25 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 44.04 111.085 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.99 -36.44 39.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.32 111.079 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.55 -59.39 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 71.12 110.811 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -54.55 -35.15 62.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 65.25 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -68.7 -33.12 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.913 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.733 HD23 HE21 ' A' ' 145' ' ' GLN . 13.9 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 62.04 110.841 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.733 HE21 HD23 ' A' ' 144' ' ' LEU . 9.4 mp0 -105.58 33.87 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 54.3 110.877 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -111.81 154.07 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.03 111.126 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.881 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.841 0.353 . . . . 52.22 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 85.3 mtp -132.71 -175.08 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 50.3 110.914 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.2 160.21 5.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.618 0.723 . . . . 74.23 110.864 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -48.36 0.74 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.724 2.283 . . . . 74.43 112.363 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.53 -168.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 75.22 110.926 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 2.8 p -104.72 97.59 12.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.558 0.695 . . . . 73.11 111.15 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 143.98 52.97 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.725 2.284 . . . . 71.15 112.394 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -175.12 161.52 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.875 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -177.33 179.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.135 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 1.7 m -69.74 146.97 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.798 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -134.89 -72.8 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 70.03 110.916 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 45.9 t -111.98 77.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.807 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 95.0 t -115.37 -35.95 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 75.24 111.128 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -80.16 161.66 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 63.14 110.893 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -177.17 148.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 72.53 110.898 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . 0.631 ' O ' HD12 ' B' ' 533' ' ' ILE . 2.9 pp -151.47 148.41 14.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 70.53 111.118 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.5 pp -82.17 153.67 25.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 62.31 110.949 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -145.32 115.51 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 72.41 110.921 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -150.53 109.68 3.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.885 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 5.6 p -179.31 146.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.927 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 111.55 151.23 11.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 44.23 112.473 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -169.92 164.49 9.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.807 0.337 . . . . 63.32 111.065 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -122.09 133.87 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.94 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 11.8 t -178.06 133.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 54.44 110.899 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 127.08 -86.38 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 64.24 112.45 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -89.7 -31.55 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 52.52 110.91 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -48.72 -32.01 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -49.79 -52.93 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.86 -28.8 17.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.981 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.33 62.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 64.45 110.903 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.695 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.5 ptmt -49.82 -51.19 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.922 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.548 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.8 m95 -59.03 -60.95 3.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.834 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.409 HG12 HD23 ' B' ' 554' ' ' LEU . 45.9 t -52.43 -56.03 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 70.33 111.118 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -45.52 -40.98 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.81 HG12 HD23 ' A' ' 123' ' ' LEU . 84.7 t -70.26 -39.45 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.087 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.787 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.06 -44.92 87.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.947 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.409 HD23 HG12 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -80.93 -28.63 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.872 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.73 -33.09 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.861 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -33.07 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.862 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.28 -70.61 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 73.35 112.512 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -139.01 -49.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.706 0.288 . . . . 71.33 110.876 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -174.78 176.49 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.14 110.842 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.99 157.27 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 50.04 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.8 pt -151.51 131.27 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 16.7 tttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 74.43 110.881 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.4 mtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 74.2 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -76.11 148.62 37.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -165.66 149.07 7.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 71.13 110.896 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 t -177.02 157.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 45.25 110.846 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.67 158.56 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 73.54 111.103 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.2 p -176.84 158.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 65.05 110.868 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -176.28 167.41 2.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 70.1 110.939 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -162.3 -176.16 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 52.35 110.869 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -142.86 -175.5 4.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 34.1 110.935 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.35 125.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 71.44 111.108 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.6 mm -126.12 103.28 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.14 111.087 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.3 p -88.83 111.65 22.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 61.02 110.888 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.72 119.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.868 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 m 54.17 57.52 5.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.848 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 tt -57.15 -40.0 70.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 74.14 111.111 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -51.78 -59.5 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 63.45 110.925 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t -69.1 -35.83 76.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 44.32 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -55.05 -25.39 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.909 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -49.52 -29.37 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 70.52 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.65 -31.16 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -70.02 -61.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.923 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -54.03 -45.87 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.919 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.802 HG21 ' CE2' ' B' ' 553' ' ' TYR . 69.0 p -61.64 -55.85 26.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 53.31 111.187 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.08 -45.92 64.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 75.23 110.874 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 97' ' ' THR . 36.5 tt0 -60.63 -45.63 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.878 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -61.4 -34.29 75.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 52.42 110.907 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.85 -60.77 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 72.43 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.86 -37.0 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.897 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.1 p -64.99 -47.42 77.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.23 111.082 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.3 62.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 70.44 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -81.42 -35.06 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 64.11 110.868 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -83.65 -36.83 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 64.35 110.853 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.46 -39.88 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.855 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -129.93 66.85 78.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 73.3 110.903 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 74.22 112.359 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.02 -35.97 82.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -58.5 -33.79 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.923 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.3 tpp -74.3 -23.63 59.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 62.3 110.851 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -86.95 -42.37 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 71.14 110.854 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 110.87 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.877 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.57 -39.2 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.11 -35.99 82.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -56.48 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.34 -39.49 57.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 62.45 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.16 -58.36 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 62.52 110.873 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -52.64 -42.86 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.925 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.726 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.1 tt -64.54 -37.49 87.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 72.35 110.946 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.76 -59.11 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.3 t -53.0 -46.02 68.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.154 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.703 ' O ' HG13 ' A' ' 122' ' ' VAL . 32.0 mt-10 -67.83 -39.88 83.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.614 ' O ' HD22 ' A' ' 123' ' ' LEU . 20.8 t80 -60.53 -29.75 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 75.54 110.907 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HG3' HG11 ' B' ' 552' ' ' VAL . 11.3 mtpp -83.73 -35.51 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.888 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -74.91 -33.5 62.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.904 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 118' ' ' GLU . 24.7 m -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.121 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.798 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -83.51 -37.58 22.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.962 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.9 mt -92.11 -8.1 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.926 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 2.7 tt0 -66.78 -60.38 6.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.615 0.721 . . . . 64.13 110.915 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.79 158.84 55.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.622 2.215 . . . . 61.24 112.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.45 -17.28 53.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 51.41 112.425 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.485 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.5 m -84.69 49.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 75.43 110.881 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -53.3 -20.55 4.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.927 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -85.26 23.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 62.11 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.2 pp -84.12 165.17 18.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 65.34 110.932 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.7 m -66.48 140.71 58.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.903 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.612 HD12 ' CG ' ' B' ' 553' ' ' TYR . 1.1 tt -55.06 -33.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 72.04 111.124 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.42 -35.88 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.884 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.754 ' HB2' HD13 ' A' ' 131' ' ' LEU . 34.7 mm-40 -75.68 -39.66 57.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 63.55 110.869 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.683 ' HB ' HD11 ' A' ' 123' ' ' LEU . 22.0 p -55.14 -51.44 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 52.25 111.123 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' A' ' 119' ' ' PHE . 78.3 mt -72.14 -49.95 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.889 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.22 -44.36 64.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.936 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.24 -56.02 10.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 44.04 111.093 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.573 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.23 -40.65 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.041 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.43 -64.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -53.06 -30.06 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 65.25 110.907 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -77.61 -31.27 52.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.887 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.726 HD22 ' HG ' ' A' ' 115' ' ' LEU . 40.7 tp -52.5 -35.13 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 62.04 110.937 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -96.89 -54.49 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 54.3 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.02 30.89 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.093 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.898 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 24.9 m80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.872 0.368 . . . . 52.22 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 43.6 mtm -122.79 -177.06 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 50.3 110.866 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.86 160.18 2.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.568 0.699 . . . . 74.23 110.875 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -48.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 74.43 112.384 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -173.09 -169.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 75.22 110.926 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.402 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 2.8 p -104.53 97.63 12.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.697 . . . . 73.11 111.146 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 54.5 Cg_endo -69.63 130.49 19.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 71.15 112.411 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -138.12 179.38 6.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.86 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -172.76 172.4 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 74.21 111.112 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.68 130.16 31.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.891 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -98.3 -73.99 0.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 70.03 110.909 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 98.7 p -134.64 36.15 3.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 74.23 110.797 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.55 138.11 20.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 75.24 111.16 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.81 176.43 11.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.892 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -163.67 128.72 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.53 110.885 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . 0.581 ' O ' HD12 ' B' ' 533' ' ' ILE . 2.9 pp -151.46 151.73 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 70.53 111.113 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . 0.493 HD12 ' C ' ' B' ' 535' ' ' LYS . 1.6 pp -80.09 163.36 24.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 62.31 110.932 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.493 ' C ' HD12 ' B' ' 534' ' ' LEU . 0.0 OUTLIER -70.72 82.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 72.41 110.94 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -107.31 -178.78 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 62.32 110.925 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 67.0 m -108.7 -71.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 74.01 110.886 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 76.03 163.59 14.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 44.23 112.479 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -163.23 164.3 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 63.32 111.106 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -122.01 150.51 41.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 74.22 110.856 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.27 -42.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 54.44 110.871 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 139.81 59.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.692 -0.766 . . . . 64.24 112.502 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -89.56 -32.28 17.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 52.52 110.916 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.57 -32.13 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.862 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -49.62 -53.31 24.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.74 -28.51 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.856 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.955 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.4 ptmt -49.51 -51.22 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.879 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.551 ' CH2' HD22 ' A' ' 115' ' ' LEU . 69.8 m95 -59.25 -61.05 2.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 72.04 110.955 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.493 HG12 HD23 ' B' ' 554' ' ' LEU . 58.7 t -52.06 -56.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 70.33 111.136 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -45.41 -41.49 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.53 110.847 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.798 HG12 HD23 ' A' ' 123' ' ' LEU . 69.2 t -68.92 -39.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.128 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.802 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.72 -45.38 92.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 65.22 110.914 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.493 HD23 HG12 ' B' ' 550' ' ' VAL . 1.4 pp -78.77 -27.77 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.9 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.42 -33.1 62.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.847 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -32.69 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 73.04 110.892 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -54.54 -72.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 73.35 112.462 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -138.14 -48.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 71.33 110.869 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -174.65 171.49 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.86 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -60.61 159.57 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 50.04 111.104 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.2 131.72 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.142 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 14.4 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.905 179.837 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.5 mtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.778 0.323 . . . . 74.2 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -72.96 148.9 43.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.896 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -147.59 114.54 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.941 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 p -118.23 140.76 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 45.25 110.86 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.68 161.35 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 73.54 111.092 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.0 t -165.66 141.51 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 65.05 110.889 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.45 -175.68 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 70.1 110.878 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -129.23 119.59 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 52.35 110.9 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -175.39 164.42 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 34.1 110.872 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.04 35.97 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 71.44 111.041 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -122.52 -35.24 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.202 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 m -99.53 63.2 1.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.124 -0.489 . . . . 61.02 110.862 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.56 126.29 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 74.11 110.865 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.39 164.83 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.883 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.443 HD12 ' H ' ' A' ' 83' ' ' ILE . 4.6 mp -90.02 -35.64 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 74.14 111.127 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -52.22 -40.68 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 63.45 110.887 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.1 -34.53 43.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 44.32 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -52.74 -28.81 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 72.23 110.836 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.589 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -52.37 -25.62 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 70.52 110.995 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.33 -31.89 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 74.1 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -60.79 2.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.6 -37.21 72.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.782 ' HB ' HD13 ' A' ' 133' ' ' ILE . 65.0 p -65.38 -52.81 51.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 53.31 111.122 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.578 ' HD3' HG21 ' B' ' 550' ' ' VAL . 0.7 OUTLIER -55.32 -50.18 70.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.88 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 97' ' ' THR . 29.8 tt0 -59.38 -46.63 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.884 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -58.66 -35.73 73.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 52.42 110.934 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.16 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.43 111.103 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.6 pp -54.83 -38.27 67.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 71.41 110.958 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 19.2 p -63.14 -47.2 83.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.193 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.638 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -72.02 -26.88 62.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.867 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -79.11 -35.33 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 64.11 110.835 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.57 -41.01 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 64.35 110.926 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.49 -39.93 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -133.51 72.73 74.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 73.3 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 73.87 1.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.752 2.301 . . . . 74.22 112.381 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -33.3 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.914 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -66.13 -35.12 79.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.42 110.961 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.4 tpt -74.57 -23.66 58.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 62.3 110.913 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -86.25 -45.67 11.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 71.14 110.906 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.04 116.43 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.899 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -52.28 -35.75 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.948 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.81 -36.78 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.931 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.23 -56.67 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.832 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -57.49 -39.66 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 62.45 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -60.08 -60.12 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 62.52 110.889 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.26 -40.87 71.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 72.44 110.889 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.778 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -65.03 -39.19 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.838 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -58.71 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.898 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.8 t -53.02 -46.39 68.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.184 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' HG13 ' A' ' 122' ' ' VAL . 12.3 mm-40 -67.72 -38.89 84.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 73.11 110.896 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.633 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 21.7 t80 -61.78 -29.99 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.923 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -82.98 -35.51 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 75.1 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -75.13 -33.7 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.869 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.5 m -75.35 -13.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 71.34 111.117 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.797 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.06 -36.09 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.924 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 57.4 mt -91.82 -29.83 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 75.34 110.905 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 3.7 tt0 -48.14 -60.21 4.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 64.13 110.945 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.66 156.67 62.99 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.749 2.3 . . . . 61.24 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.68 -19.73 43.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 51.41 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.558 ' O ' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -83.21 50.49 1.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.972 0.415 . . . . 75.43 110.901 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -56.8 -16.09 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 70.44 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -86.34 23.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 62.11 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.052 HD11 HG23 ' A' ' 136' ' ' THR . 4.1 pp -86.72 163.99 17.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 65.34 110.936 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.487 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -62.59 140.95 58.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.866 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.782 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -59.44 -20.16 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 72.04 111.112 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.26 -36.25 82.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 75.12 110.948 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.758 ' HB2' HD13 ' A' ' 131' ' ' LEU . 26.9 mm-40 -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 63.55 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.052 HG23 HD11 ' A' ' 131' ' ' LEU . 3.0 p -53.65 -54.03 43.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 52.25 111.182 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.638 HD21 ' CD2' ' A' ' 98' ' ' PHE . 8.9 tp -68.73 -48.42 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.933 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.4 tt -51.42 -47.41 63.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.969 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.96 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 44.04 111.02 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.9 -40.86 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.32 111.101 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -66.92 -62.1 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.19 -37.27 54.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 65.25 110.858 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -66.87 -33.03 74.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.778 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.6 tp -63.78 -35.49 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 62.04 110.923 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.703 HE21 HD23 ' A' ' 144' ' ' LEU . 9.2 mp0 -105.09 34.35 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 54.3 110.939 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.73 -56.43 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.08 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.939 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 37.5 m170 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.863 0.363 . . . . 52.22 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 27.7 mmm -148.88 160.76 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 50.3 110.877 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.33 160.21 7.3 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.572 0.701 . . . . 74.23 110.886 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -47.84 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.682 2.255 . . . . 74.43 112.358 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.3 pp -172.34 178.88 2.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.404 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -114.27 97.24 45.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 73.11 111.153 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 52.8 Cg_endo -69.77 166.41 27.7 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.737 2.291 . . . . 71.15 112.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -152.1 149.93 29.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.857 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -172.72 167.64 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.125 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.71 155.93 16.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.793 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -159.73 113.05 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 70.03 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 3.3 t 50.47 33.06 7.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.85 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 11.6 p -88.31 -32.36 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.041 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -73.62 163.01 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 63.14 110.909 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -161.54 164.85 29.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 72.53 110.884 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.46 153.44 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 70.53 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . 0.564 HD12 ' N ' ' B' ' 535' ' ' LYS . 2.2 pp -75.28 172.24 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.942 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.564 ' N ' HD12 ' B' ' 534' ' ' LEU . 34.4 mtmt -141.41 111.86 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.41 110.924 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -107.59 120.81 43.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 62.32 110.932 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 5.0 m -162.85 142.41 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 74.01 110.856 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 175.17 147.69 6.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 44.23 112.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -165.32 166.94 18.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 63.32 111.095 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -145.79 124.85 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.4 155.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 54.44 110.855 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -90.33 -33.9 8.41 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.691 -0.766 . . . . 64.24 112.422 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -89.87 -31.48 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 52.52 110.846 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.79 -32.27 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.54 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -49.58 -52.57 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -91.13 -29.15 17.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 71.42 110.878 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . 0.489 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.1 tt0 -50.92 -46.97 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 64.45 110.897 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.682 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.8 ptmt -50.26 -50.66 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.933 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.486 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.8 m95 -59.48 -61.75 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.899 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.578 HG21 ' HD3' ' A' ' 92' ' ' LYS . 48.8 t -52.15 -55.45 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 70.33 111.159 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -46.26 -42.33 14.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.797 HG12 HD23 ' A' ' 123' ' ' LEU . 76.4 t -69.61 -37.63 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.128 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.771 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.43 -45.2 88.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 65.22 110.954 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -27.21 32.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.949 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.96 -32.72 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.838 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.37 -32.61 18.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 73.04 110.83 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.79 -77.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 73.35 112.518 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 -75.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 71.33 110.882 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.02 -174.81 4.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.934 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.99 158.11 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 50.04 111.118 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 16.6 pt -152.25 131.64 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.128 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.848 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.724 0.297 . . . . 74.2 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.89 160.82 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.849 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 61.14 56.99 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.875 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 t -98.25 -63.21 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 45.25 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.64 72.2 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 73.54 111.182 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -93.74 -42.03 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 65.05 110.883 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -80.51 135.16 36.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 70.1 110.893 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -111.97 -175.21 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 52.35 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.39 159.64 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 34.1 110.822 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.0 85.14 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 71.44 111.072 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 79' ' ' ILE . 8.0 tt -136.95 30.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.139 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -66.68 -74.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 61.02 110.885 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -133.23 -170.22 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 p -53.77 108.77 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 73.52 110.828 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.7 mt -90.26 -35.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 74.14 111.109 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -51.07 -46.18 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 63.45 110.914 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.5 t -76.69 -40.04 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 44.32 110.893 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.37 -23.05 46.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.904 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 91' ' ' THR . 53.4 mmtt -49.6 -29.97 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 70.52 110.839 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -49.32 -32.06 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 74.1 110.944 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.62 -61.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 72.22 110.928 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.27 -35.79 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 72.41 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.796 HG21 ' CE2' ' B' ' 553' ' ' TYR . 67.5 p -65.51 -58.07 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 53.31 111.108 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.764 ' HD2' HG21 ' B' ' 550' ' ' VAL . 4.6 tptt -51.94 -47.12 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.916 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.6 tt0 -61.01 -45.14 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.925 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.99 -34.45 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 52.42 110.917 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.43 -60.72 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.057 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.8 pp -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.41 110.946 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.599 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -64.3 -47.71 78.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.157 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.31 61.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.825 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -81.56 -36.0 29.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.11 110.828 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -83.72 -36.85 23.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 64.35 110.961 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -73.96 -39.67 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.855 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -132.73 67.4 78.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.586 0.708 . . . . 73.3 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.11 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 74.22 112.339 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.693 ' NE2' HD12 ' A' ' 115' ' ' LEU . 5.1 tt0 -57.97 -34.79 70.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.915 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.89 -33.18 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.42 110.935 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -23.69 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 62.3 110.833 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -89.58 -37.56 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 71.14 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 106.73 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.9 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -34.42 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.87 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.71 -43.66 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.11 110.843 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.46 -47.23 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.806 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.17 -35.45 77.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 62.45 110.853 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.64 -59.76 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 62.52 110.942 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.666 ' HG3' HD11 ' A' ' 144' ' ' LEU . 3.4 pt20 -54.33 -41.81 69.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.861 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.758 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -65.18 -37.73 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 72.35 110.932 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -64.62 -58.69 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.03 110.867 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.6 t -53.42 -46.0 69.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.24 111.158 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.66 ' O ' HG13 ' A' ' 122' ' ' VAL . 19.4 mt-10 -68.06 -37.69 81.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.896 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.606 ' O ' HD22 ' A' ' 123' ' ' LEU . 20.2 t80 -62.07 -30.11 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.876 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.404 ' HG3' HG11 ' B' ' 552' ' ' VAL . 23.2 mtpt -83.86 -35.76 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.877 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -74.44 -33.67 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 118' ' ' GLU . 33.7 m -74.86 -14.26 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 71.34 111.124 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.79 HD23 HG12 ' B' ' 552' ' ' VAL . 0.6 OUTLIER -87.0 -34.41 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.872 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.62 -31.7 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -47.56 -60.3 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.669 0.747 . . . . 64.13 110.932 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.77 153.9 68.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.222 . . . . 61.24 112.359 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.57 -18.65 47.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.713 -0.756 . . . . 51.41 112.408 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.513 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.9 t -86.0 49.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 75.43 110.875 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -16.87 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.904 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -74.38 -1.11 19.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 62.11 110.855 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.1 pp -63.52 164.83 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 65.34 110.866 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.428 ' O ' HD12 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -69.79 144.09 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.846 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.65 HG21 HG22 ' A' ' 91' ' ' THR . 1.8 tt -56.2 -33.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.04 111.113 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -51.12 -36.07 38.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.94 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.729 ' HB2' HD13 ' A' ' 131' ' ' LEU . 24.0 mm-40 -76.8 -37.66 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 63.55 110.907 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.674 ' HB ' HD11 ' A' ' 123' ' ' LEU . 21.1 p -56.83 -49.65 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 52.25 111.069 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 119' ' ' PHE . 87.4 mt -74.4 -48.23 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.947 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.69 -42.61 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.33 -56.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 44.04 111.087 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.64 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.12 -35.77 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.32 111.08 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.28 -64.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 71.12 110.914 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.02 -35.84 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 65.25 110.911 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.7 -34.29 77.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.758 HD22 ' HG ' ' A' ' 115' ' ' LEU . 9.4 tp -64.57 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 62.04 110.964 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.724 HE21 HD23 ' A' ' 144' ' ' LEU . 9.9 mp0 -104.52 34.07 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 54.3 110.899 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -85.3 -46.35 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.058 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.04 110.879 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.817 0.341 . . . . 52.22 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 23.6 mtm -90.76 170.92 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 50.3 110.938 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -86.97 156.42 55.06 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.557 0.694 . . . . 74.23 110.905 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . 0.411 ' HB2' HD23 ' B' ' 522' ' ' LEU . 53.7 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.689 2.259 . . . . 74.43 112.377 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' B' ' 521' ' ' PRO . 0.7 OUTLIER -174.89 169.3 3.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 75.22 110.937 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.402 HG23 ' O ' ' B' ' 523' ' ' THR . 1.8 t -119.91 97.22 49.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.526 0.679 . . . . 73.11 111.162 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.14 29.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 71.15 112.349 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -122.25 70.67 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 74.23 110.854 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -148.19 -176.38 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.21 111.087 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.22 107.37 9.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.948 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.86 160.65 37.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 70.03 110.893 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 4.7 t 50.93 30.57 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.878 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 14.8 p -91.96 146.49 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 75.24 111.13 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -112.6 145.02 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 63.14 110.922 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -120.67 137.15 54.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.891 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -142.83 -177.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.132 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -53.49 172.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 62.31 110.946 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -76.23 81.19 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.925 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -107.6 66.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 62.32 110.921 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 15.1 p -59.85 121.39 11.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 74.01 110.878 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -134.1 -120.33 2.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 44.23 112.434 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -160.65 168.78 24.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 63.32 111.092 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -145.97 150.96 37.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 74.22 110.921 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 2.2 t -137.42 -41.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 54.44 110.863 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 73.69 110.13 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 64.24 112.47 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -89.73 -30.85 17.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 52.52 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -48.64 -31.89 7.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.54 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -49.64 -52.84 27.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.88 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.19 -29.29 17.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 71.42 110.906 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -47.33 63.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 64.45 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.689 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.39 -51.47 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.891 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -59.2 -61.07 2.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.928 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.764 HG21 ' HD2' ' A' ' 92' ' ' LYS . 49.2 t -52.02 -56.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 70.33 111.067 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -45.23 -42.56 9.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.887 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.79 HG12 HD23 ' A' ' 123' ' ' LEU . 93.6 t -69.16 -39.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.118 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -58.42 -46.14 87.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 65.22 110.93 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.421 HD23 HG12 ' B' ' 550' ' ' VAL . 1.0 OUTLIER -80.04 -27.06 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 74.44 110.941 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.86 -32.73 65.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.888 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -32.46 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.04 110.939 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -64.38 -71.07 0.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 73.35 112.443 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.82 -74.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 71.33 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -160.58 -173.9 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 64.14 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.97 157.49 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 50.04 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . 0.419 ' CG1' HD22 ' B' ' 554' ' ' LEU . 14.1 pt -152.97 135.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.111 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 23.5 pttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.875 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.0 tpp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.715 0.293 . . . . 74.2 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -77.43 153.34 33.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 71.45 110.818 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -142.86 151.91 41.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 71.13 110.862 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.1 p -166.0 165.41 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 45.25 110.845 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -141.0 147.74 39.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 73.54 111.138 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -142.67 131.17 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 65.05 110.891 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -87.86 146.07 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 70.1 110.889 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -165.71 158.45 15.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 52.35 110.896 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 m -141.96 112.57 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 34.1 110.846 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.528 ' O ' HD13 ' A' ' 79' ' ' ILE . . . -96.99 107.37 19.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 71.44 111.077 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.528 HD13 ' O ' ' A' ' 78' ' ' ALA . 32.1 mm -125.15 87.45 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.133 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 p -124.39 96.72 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.798 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.9 t -170.43 168.04 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.869 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.25 113.55 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.88 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 tp -61.32 -33.38 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 74.14 111.128 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -52.31 -59.21 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 63.45 110.918 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.4 p -74.07 -34.38 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 44.32 110.867 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -52.41 -27.98 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -50.06 -28.14 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 70.52 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.99 -31.53 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -69.73 -60.13 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -55.87 -46.97 78.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.92 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.828 HG22 HG21 ' A' ' 133' ' ' ILE . 65.8 p -59.92 -55.06 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 53.31 111.095 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -47.58 62.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.88 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -59.08 -47.31 85.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.924 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.15 -35.43 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 52.42 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.61 -60.28 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 97' ' ' THR . 2.7 pp -56.12 -37.75 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 71.41 110.894 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.613 ' N ' HD12 ' A' ' 96' ' ' LEU . 19.6 p -63.2 -48.3 78.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.181 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.765 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.65 -27.3 62.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 70.44 110.895 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -78.11 -37.78 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.872 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -82.05 -39.75 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 64.35 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.71 -36.79 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -135.39 71.0 67.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 73.3 110.863 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 80.37 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.746 2.297 . . . . 74.22 112.446 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -35.94 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.887 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -59.82 -34.26 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.954 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 tpt -74.43 -23.44 58.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 62.3 110.867 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -83.54 -48.24 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.893 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.18 118.85 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.53 110.843 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.73 -35.7 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.929 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.08 -39.44 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.856 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.535 ' OD2' HD21 ' A' ' 144' ' ' LEU . 2.1 t0 -53.12 -58.92 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.899 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -51.86 -43.61 63.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 62.45 110.898 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.44 -58.93 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 62.52 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -51.2 -43.05 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.948 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.735 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -64.26 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.917 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -64.99 -59.28 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.88 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 118' ' ' GLU . 2.7 t -51.92 -47.32 64.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.11 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.686 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -67.53 -37.7 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.858 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 23.1 t80 -62.01 -30.27 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.887 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -82.85 -35.13 26.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 75.1 110.902 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -33.78 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 118' ' ' GLU . 30.5 m -75.31 -13.99 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.119 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.8 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -85.87 -36.98 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.911 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.78 -28.91 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 75.34 110.946 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.5 tp10 -48.77 -60.1 5.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 64.13 110.906 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.72 156.77 62.58 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.741 2.294 . . . . 61.24 112.352 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 -18.77 47.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 51.41 112.506 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.53 ' O ' HD23 ' A' ' 131' ' ' LEU . 47.8 m -83.11 50.48 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 75.43 110.88 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -58.1 -15.51 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.44 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -86.62 23.96 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 62.11 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.108 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -87.75 163.62 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.914 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.31 140.48 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.807 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.828 HG21 HG22 ' A' ' 91' ' ' THR . 2.9 tt -59.39 -20.17 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 72.04 111.144 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.9 -36.09 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.73 ' HB2' HD13 ' A' ' 131' ' ' LEU . 27.8 mm-40 -73.88 -41.96 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 63.55 110.858 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.108 HG23 HD11 ' A' ' 131' ' ' LEU . 2.1 p -54.78 -54.04 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 52.25 111.132 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.765 HD21 ' CD2' ' A' ' 98' ' ' PHE . 9.8 tp -68.22 -47.57 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.926 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.15 -45.46 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.991 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.68 38.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 44.04 111.077 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -55.63 -34.88 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 73.32 111.062 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -71.19 -62.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.12 110.873 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -54.12 -38.98 66.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 65.25 110.856 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -63.53 -33.9 76.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.856 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.735 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.3 tp -64.34 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 62.04 110.88 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.729 HE21 HD23 ' A' ' 144' ' ' LEU . 9.6 mp0 -106.13 34.27 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 54.3 110.864 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.12 126.58 49.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 73.03 111.133 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.903 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 52.1 t60 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.83 0.348 . . . . 52.22 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -157.4 169.69 24.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 50.3 110.847 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.24 160.21 13.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.66 0.743 . . . . 74.23 110.87 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.86 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.685 2.257 . . . . 74.43 112.341 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.64 179.12 8.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.918 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.402 HG23 ' O ' ' B' ' 523' ' ' THR . 1.8 t -122.55 97.18 44.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.561 0.696 . . . . 73.11 111.111 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 137.15 34.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 71.15 112.314 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -172.96 -175.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.865 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -160.1 165.16 32.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.21 111.147 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 65.5 p -92.43 147.72 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.856 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -127.24 -69.8 0.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 70.03 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 5.3 t -115.42 58.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.857 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.83 -51.03 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 75.24 111.147 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -107.18 177.91 4.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 63.14 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -167.62 157.73 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.53 110.851 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.71 128.22 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 70.53 111.187 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.11 162.75 24.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 62.31 110.872 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.07 129.15 46.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.923 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -110.89 148.5 32.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 62.32 110.947 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 2.6 p -113.92 107.68 16.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.01 110.861 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 103.57 -175.14 23.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 44.23 112.491 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -142.59 170.36 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.711 0.291 . . . . 63.32 111.128 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -145.39 125.76 13.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.938 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.56 171.35 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 54.44 110.878 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.68 77.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 64.24 112.453 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.92 -31.77 17.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.793 0.33 . . . . 52.52 110.846 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.91 -32.13 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -49.74 -52.69 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -90.93 -29.18 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.879 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.26 -47.13 55.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.45 110.906 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.678 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.0 ptmt -50.3 -50.17 51.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.933 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.515 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.6 m95 -60.15 -61.27 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.885 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.507 HG12 HD23 ' B' ' 554' ' ' LEU . 62.5 t -52.13 -56.18 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 70.33 111.145 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -45.88 -42.81 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.827 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.8 HG12 HD23 ' A' ' 123' ' ' LEU . 71.5 t -68.45 -38.41 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 73.21 111.186 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.785 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.0 -45.31 95.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 65.22 110.89 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.507 HD23 HG12 ' B' ' 550' ' ' VAL . 1.2 pp -79.53 -26.94 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 74.44 110.905 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.55 -33.16 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.888 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -32.37 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.903 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.17 -74.76 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 73.35 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -135.14 -50.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 71.33 110.978 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -174.65 172.87 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 64.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.82 162.27 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 50.04 111.098 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt -151.52 136.51 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 73.03 111.145 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.901 179.89 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.821 0.343 . . . . 74.2 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.58 148.39 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.45 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -75.31 110.71 9.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.13 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -73.89 -67.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 45.25 110.886 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 54.01 49.5 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 73.54 111.123 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 t -130.48 93.04 3.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 65.05 110.875 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.44 175.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.1 110.869 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -123.58 127.41 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 52.35 110.836 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -56.11 137.49 51.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 34.1 110.864 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.36 42.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.44 111.128 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.9 mt -105.1 89.72 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.14 111.157 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.5 p -175.47 158.94 2.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.864 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -115.78 73.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 74.11 110.878 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 m -138.33 115.57 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.845 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.449 HD12 ' H ' ' A' ' 83' ' ' ILE . 5.1 mp -84.85 -44.95 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 74.14 111.1 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -57.6 -35.76 70.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 63.45 110.961 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.91 -37.22 59.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 44.32 110.931 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.88 -28.97 17.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 72.23 110.933 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 91' ' ' THR . 5.7 mptt -50.56 -27.45 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 70.52 110.929 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.63 -31.68 7.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 74.1 110.877 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -68.32 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 72.22 110.908 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -57.6 -39.54 77.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 72.41 110.916 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.758 HG21 ' CE2' ' B' ' 553' ' ' TYR . 69.7 p -63.19 -53.07 58.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 53.31 111.232 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.666 ' HE2' HG21 ' B' ' 550' ' ' VAL . 0.2 OUTLIER -55.14 -47.7 74.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.939 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 96' ' ' LEU . 4.8 tt0 -59.91 -45.32 92.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.834 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 52.42 110.873 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.44 -60.78 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 72.43 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.88 -37.89 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.41 110.869 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.607 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.0 p -63.86 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 75.23 111.11 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -24.5 62.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.822 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -81.94 -35.34 29.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 64.11 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -84.94 -36.4 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 64.35 110.914 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.74 -40.14 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.857 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -132.56 67.55 78.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 73.3 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 73.37 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 74.22 112.352 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -35.72 46.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.911 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.52 -34.23 70.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.93 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.8 mtp -74.52 -23.44 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 62.3 110.928 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -87.27 -35.84 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 71.14 110.858 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -154.68 116.49 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.929 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -58.28 -41.82 85.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.92 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.24 -37.56 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.885 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.6 -49.76 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -53.03 -53.62 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 62.45 110.821 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.46 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 62.52 110.84 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.79 -42.44 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 72.44 110.957 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.719 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.58 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.889 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.9 ttt -63.84 -59.09 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.915 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -53.62 -46.37 70.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 75.24 111.167 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.9 OUTLIER -66.12 -41.2 90.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.824 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.571 ' O ' HD22 ' A' ' 123' ' ' LEU . 13.1 t80 -62.1 -28.03 69.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.83 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.463 ' HG3' HG11 ' B' ' 552' ' ' VAL . 27.8 mtpt -83.28 -32.4 26.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.799 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -79.56 -32.93 42.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 75.21 110.951 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 118' ' ' GLU . 28.1 m -73.32 -13.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.154 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.827 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.49 -37.79 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 74.02 110.938 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.17 -29.6 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.921 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -46.79 -60.47 3.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.679 0.752 . . . . 64.13 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.79 159.37 53.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 61.24 112.346 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.14 -19.62 45.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.737 -0.744 . . . . 51.41 112.564 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.438 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.9 m -84.0 49.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 75.43 110.818 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -16.71 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.939 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -87.13 24.05 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 62.11 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.043 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -86.59 163.62 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.34 110.942 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -61.56 141.72 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.803 HD12 ' CG ' ' B' ' 553' ' ' TYR . 6.3 tt -59.06 -20.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 72.04 111.129 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 131' ' ' LEU . 29.0 mm-40 -73.7 -42.69 60.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.55 110.906 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.043 HG23 HD11 ' A' ' 131' ' ' LEU . 1.9 p -53.7 -52.34 60.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 52.25 111.106 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 119' ' ' PHE . 87.7 mt -68.82 -50.16 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 73.04 110.939 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.28 -47.09 62.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.927 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.46 -49.95 64.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 44.04 111.123 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.611 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.13 -35.31 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.043 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -71.48 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.3 -37.22 69.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 65.25 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -65.73 -33.51 76.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.932 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.735 HD23 HE21 ' A' ' 145' ' ' GLN . 12.8 tp -63.5 -35.5 80.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 62.04 110.922 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.735 HE21 HD23 ' A' ' 144' ' ' LEU . 9.1 mp0 -104.27 33.88 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 54.3 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.12 125.72 48.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.03 111.089 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.04 110.863 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 17.4 p80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.877 0.37 . . . . 52.22 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -164.04 174.08 11.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 50.3 110.888 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.61 158.48 1.52 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.599 0.714 . . . . 74.23 110.828 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -46.14 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.276 . . . . 74.43 112.387 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.96 -179.43 7.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.857 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -123.81 97.12 41.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.554 0.693 . . . . 73.11 111.139 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 144.76 55.28 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.662 2.241 . . . . 71.15 112.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -155.38 168.16 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.875 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -149.42 157.74 43.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.113 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.09 114.0 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 74.31 110.858 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.52 -166.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 70.03 110.876 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 26.8 t -67.41 85.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.23 110.837 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 94.2 t -121.63 137.79 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.145 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -112.86 173.38 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 63.14 110.887 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -159.0 147.8 18.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 72.53 110.902 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.3 pt -120.62 126.23 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 70.53 111.114 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.31 143.77 34.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 62.31 110.872 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -121.73 121.23 36.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.933 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -149.9 130.33 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 62.32 110.917 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.95 147.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.894 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 69.07 161.9 2.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 44.23 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -71.6 171.78 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 63.32 111.084 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -101.41 -44.41 5.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 2.9 t -137.01 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 54.44 110.82 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 98.19 -99.25 2.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 64.24 112.449 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -89.75 -32.7 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 52.52 110.831 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -32.15 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.914 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -49.86 -52.93 28.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.78 -28.4 18.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.929 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -47.49 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 64.45 110.908 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.713 ' O ' HG23 ' B' ' 552' ' ' VAL . 11.8 ptmt -50.03 -52.1 36.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 74.23 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.566 ' CH2' HD22 ' A' ' 115' ' ' LEU . 74.3 m95 -58.84 -62.02 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.918 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.666 HG21 ' HE2' ' A' ' 92' ' ' LYS . 48.8 t -51.1 -55.95 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 70.33 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -44.95 -42.92 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.846 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.827 HG12 HD23 ' A' ' 123' ' ' LEU . 99.4 t -67.88 -40.67 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.099 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.803 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -58.95 -44.39 91.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 65.22 110.892 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.475 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -81.18 -26.32 36.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.44 110.94 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.93 -33.28 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.851 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -31.4 19.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 73.04 110.871 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.28 -75.71 0.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 73.35 112.485 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.63 -63.65 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 71.33 110.946 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -175.07 -171.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.835 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -66.52 152.94 44.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 50.04 111.104 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.9 pt -153.2 137.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.123 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.885 179.8 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.9 ppp? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 74.2 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -52.05 134.47 32.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.889 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.0 134.94 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -93.45 139.34 30.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 45.25 110.955 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.08 -174.12 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 73.54 111.044 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.4 m -126.65 -74.26 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 65.05 110.922 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -174.02 165.01 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 70.1 110.878 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -176.63 137.04 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 52.35 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 p -176.25 175.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 34.1 110.884 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -121.95 78.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 71.44 111.128 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.8 mt -120.13 -35.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.14 111.074 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -52.2 166.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 61.02 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 t -61.72 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 74.11 110.863 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -52.1 104.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.825 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.25 -34.12 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 74.14 111.104 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -55.12 -48.77 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 63.45 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -64.09 -57.4 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 44.32 110.947 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -52.99 -27.5 19.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.942 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -49.9 -28.36 6.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 70.52 110.93 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -49.14 -31.38 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -65.34 -61.51 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 72.22 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -49.85 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.961 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.796 HG21 ' CE2' ' B' ' 553' ' ' TYR . 34.0 p -54.97 -56.83 15.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 53.31 111.211 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HG3' HD13 ' B' ' 546' ' ' LEU . 13.5 ttmt -51.15 -42.94 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.953 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 97' ' ' THR . 3.9 tt0 -61.02 -45.43 94.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.951 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.44 -34.97 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 52.42 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.65 -60.73 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 72.43 111.127 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 97' ' ' THR . 2.6 pp -54.86 -39.73 68.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 71.41 110.966 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.582 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.3 p -61.7 -47.02 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 75.23 111.18 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -29.26 64.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 70.44 110.841 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.98 -36.04 59.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 64.11 110.89 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -83.87 -42.75 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 64.35 110.951 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.4 -39.76 85.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.813 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -136.27 74.89 54.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 73.3 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 74.15 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.659 2.239 . . . . 74.22 112.338 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -36.11 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.913 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 72.42 110.878 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.2 tpp -79.65 -23.57 42.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 62.3 110.878 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -48.52 12.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 71.14 110.889 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.24 112.33 3.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.866 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -35.28 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.22 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.64 -37.65 76.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.92 -58.47 8.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.856 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -52.85 -43.9 66.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 62.45 110.886 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.32 -58.46 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 62.52 110.885 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -52.06 -42.6 63.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.98 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.475 HD11 ' NE2' ' A' ' 145' ' ' GLN . 0.1 OUTLIER -64.43 -36.95 85.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 72.35 110.866 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.4 ttp -65.69 -59.17 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 75.03 110.924 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.0 t -51.89 -46.48 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 75.24 111.151 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.9 mm-40 -68.51 -34.89 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.859 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.604 ' O ' HD13 ' A' ' 123' ' ' LEU . 11.5 t80 -65.94 -27.88 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.879 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HG3' HG11 ' B' ' 552' ' ' VAL . 16.5 mtpt -84.39 -36.34 22.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.935 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -73.59 -33.21 64.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.895 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.659 HG21 ' HB2' ' A' ' 140' ' ' ALA . 35.8 m -75.06 -13.47 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 71.34 111.122 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.808 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.93 -35.56 18.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 74.02 110.913 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.66 -29.83 16.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.8 tp10 -49.03 -60.61 4.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.674 0.749 . . . . 64.13 110.877 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.2 Cg_endo -69.68 155.67 65.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.236 . . . . 61.24 112.411 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.91 -19.47 43.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 51.41 112.539 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.533 ' O ' HD23 ' A' ' 131' ' ' LEU . 58.7 m -85.88 48.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 75.43 110.877 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -58.77 -15.6 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.954 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -73.85 -3.12 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 62.11 110.941 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' A' ' 135' ' ' GLN . 4.1 pp -63.71 164.52 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 65.34 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -71.3 147.67 47.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.901 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.64 HG21 HG22 ' A' ' 91' ' ' THR . 16.2 tt -57.51 -32.41 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 72.04 111.1 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -38.78 34.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.953 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.708 ' HB2' HD13 ' A' ' 131' ' ' LEU . 32.5 mm-40 -76.76 -35.14 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.55 110.935 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.717 ' HB ' HD11 ' A' ' 123' ' ' LEU . 20.5 p -59.67 -50.31 74.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 52.25 111.086 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.2 tp -73.16 -47.08 46.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.925 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.57 -51.11 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.888 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.71 -54.84 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 44.04 111.088 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.659 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.88 -45.16 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.084 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -61.49 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.886 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 146' ' ' ALA . 1.7 mm-40 -51.78 -35.72 44.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 65.25 110.91 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -72.99 -32.06 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.875 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 144' ' ' LEU . 1.2 tm? -67.38 -48.1 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 62.04 110.962 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.475 ' NE2' HD11 ' A' ' 115' ' ' LEU . 4.1 mp0 -98.72 32.82 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 54.3 110.968 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 142' ' ' GLU . . . -89.07 134.71 33.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.03 111.075 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.933 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.728 0.299 . . . . 52.22 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 18.7 mtt -104.85 174.82 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 50.3 110.857 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.44 160.24 70.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.578 0.704 . . . . 74.23 110.906 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.87 -48.14 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.688 2.259 . . . . 74.43 112.322 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.3 pp -172.26 178.58 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 75.22 110.959 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 523' ' ' THR . 1.8 t -111.94 97.25 37.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.576 0.703 . . . . 73.11 111.109 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 162.74 40.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 71.15 112.324 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -125.62 143.65 50.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.915 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -176.94 174.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.21 111.126 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 13.7 m -88.82 174.02 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.832 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -168.28 125.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 70.03 110.917 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 2.4 t 50.4 31.6 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.23 110.867 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 10.7 p -93.29 140.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 75.24 111.14 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -163.17 176.52 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 63.14 110.931 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . 0.477 ' O ' HG23 ' B' ' 533' ' ' ILE . 9.7 t30 -160.83 158.17 27.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.53 110.849 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . 0.518 ' O ' HD12 ' B' ' 533' ' ' ILE . 1.2 pp -158.19 161.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 70.53 111.121 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . 0.465 HD12 ' N ' ' B' ' 535' ' ' LYS . 1.6 pp -80.21 163.35 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 62.31 110.881 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.465 ' N ' HD12 ' B' ' 534' ' ' LEU . 2.7 mmmm -140.32 124.59 17.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.864 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -152.02 147.96 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.881 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 3.9 m -160.03 176.94 11.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.819 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 134.77 140.17 4.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 44.23 112.48 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -173.95 169.0 4.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.79 0.328 . . . . 63.32 111.088 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -145.49 -176.95 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.931 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 3.5 t -177.6 159.33 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 54.44 110.886 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.38 -82.2 1.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 64.24 112.501 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -89.83 -31.43 17.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 52.52 110.863 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -48.48 -32.19 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -49.9 -53.24 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.494 HD13 ' HG3' ' A' ' 92' ' ' LYS . 4.5 pp -90.48 -28.37 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.939 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . 0.422 ' N ' HD12 ' B' ' 546' ' ' LEU . 0.5 OUTLIER -50.58 -47.75 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 64.45 110.85 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.712 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -49.86 -51.17 42.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.933 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -58.98 -60.89 3.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 72.04 110.859 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 56.3 t -52.36 -55.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 70.33 111.106 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -41.21 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.868 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 123' ' ' LEU . 94.4 t -70.24 -39.17 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.107 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -57.87 -45.53 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 65.22 110.888 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -28.33 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.934 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.84 -32.91 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.839 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -32.63 17.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.934 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.52 -78.22 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 73.35 112.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -57.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 71.33 110.939 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -174.63 -175.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 64.14 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -67.67 154.12 42.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 50.04 111.088 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 14.2 pt -151.36 131.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.118 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 74.43 110.889 179.832 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.793 0.33 . . . . 74.2 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -83.07 126.05 32.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.929 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.56 177.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.9 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p -174.61 161.75 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 45.25 110.838 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.43 156.82 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 73.54 111.159 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -174.18 178.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 65.05 110.88 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -162.79 120.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 70.1 110.862 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -171.17 108.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 52.35 110.929 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -125.24 100.77 6.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 34.1 110.859 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -121.23 112.02 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 71.44 111.119 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 mm -107.72 67.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.118 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 m -167.55 -178.58 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 61.02 110.86 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -58.93 120.73 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.841 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 m -79.35 61.9 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -88.29 -34.16 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 74.14 111.198 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -53.31 -35.74 60.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 63.45 110.959 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.5 m -77.38 -42.39 36.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.49 . . . . 44.32 110.816 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.72 -29.37 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 72.23 110.899 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -51.34 -26.41 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 70.52 110.856 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.66 -31.69 7.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.432 . . . . 74.1 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -61.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.945 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.39 -37.15 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.776 HG21 ' CE2' ' B' ' 553' ' ' TYR . 62.5 p -64.17 -55.67 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 53.31 111.172 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.87 -45.19 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HA ' HD21 ' A' ' 96' ' ' LEU . 3.2 tt0 -61.07 -44.97 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.887 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.38 -34.76 77.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 52.42 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.83 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.43 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.59 -38.44 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 71.41 110.932 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.6 p -63.46 -47.14 83.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.23 111.188 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.639 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.92 -26.22 62.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.874 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.3 -36.01 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.881 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -83.69 -37.29 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 64.35 110.932 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -36.03 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.856 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -132.05 68.06 79.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 73.3 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.687 2.258 . . . . 74.22 112.309 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.68 -35.34 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 72.42 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -58.17 -34.69 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -74.74 -23.48 58.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 62.3 110.871 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -85.86 -48.53 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m -156.36 137.36 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.915 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -68.41 -36.13 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.878 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.45 -36.21 60.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.914 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.33 -52.7 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -55.38 21.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 62.45 110.838 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.04 -55.73 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.52 110.933 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -50.98 -46.88 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 141' ' ' HIS . 0.2 OUTLIER -63.94 -34.24 77.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 72.35 110.917 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.3 ttt -66.58 -59.88 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.03 110.873 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -52.16 -46.17 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.137 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.5 mt-10 -67.9 -35.22 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 73.11 110.888 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.607 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 17.6 t80 -65.29 -28.86 69.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.862 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HG3' HG11 ' B' ' 552' ' ' VAL . 14.7 mtpt -83.75 -35.51 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.1 110.91 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -74.51 -33.25 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.937 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 140' ' ' ALA . 35.5 m -74.93 -15.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 71.34 111.166 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.803 HD23 HG12 ' B' ' 552' ' ' VAL . 0.4 OUTLIER -84.7 -36.47 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.895 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.67 -8.04 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.4 tt0 -68.61 -60.52 4.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.611 0.72 . . . . 64.13 110.84 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.75 158.25 57.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 61.24 112.333 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -18.87 47.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 51.41 112.527 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.544 ' O ' HD23 ' A' ' 131' ' ' LEU . 0.8 OUTLIER -83.18 50.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 75.43 110.814 -179.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -18.77 4.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.892 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -85.73 24.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 62.11 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.135 HD11 HG23 ' A' ' 136' ' ' THR . 4.1 pp -85.71 164.15 17.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 65.34 110.913 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.512 ' O ' HD12 ' A' ' 131' ' ' LEU . 19.6 m -61.8 140.19 58.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.881 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.778 HD12 ' CG ' ' B' ' 553' ' ' TYR . 5.2 tt -60.14 -20.27 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.04 111.108 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -68.19 -35.62 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.929 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.707 ' HB2' HD13 ' A' ' 131' ' ' LEU . 30.0 mm-40 -73.45 -40.36 64.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 63.55 110.903 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.135 HG23 HD11 ' A' ' 131' ' ' LEU . 1.6 p -57.7 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 52.25 111.177 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.639 HD21 ' CD2' ' A' ' 98' ' ' PHE . 12.8 tp -67.42 -52.14 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 73.04 110.904 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tt -51.89 -53.88 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 44.04 111.058 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -50.92 -45.95 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 73.32 111.087 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.464 ' CD2' HD11 ' A' ' 115' ' ' LEU . 4.3 t-80 -61.32 -63.45 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 71.12 110.814 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.79 -36.81 49.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 65.25 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -73.13 -30.8 63.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.917 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 118' ' ' GLU . 1.3 tm? -66.48 -48.04 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 62.04 110.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -99.21 33.99 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 54.3 110.893 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.59 136.13 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.107 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 75.04 110.97 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 8.1 t60 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.786 0.327 . . . . 52.22 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 3.2 mtt -143.11 -179.34 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 50.3 110.869 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.01 160.13 4.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 74.23 110.913 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.23 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.262 . . . . 74.43 112.361 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.29 -168.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.91 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 2.6 p -104.66 97.78 13.3 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 73.11 111.181 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.1 66.32 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.76 2.306 . . . . 71.15 112.356 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.95 165.65 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.809 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -173.83 -179.09 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.096 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 2.6 p -98.92 142.3 30.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 74.31 110.86 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -134.02 -73.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 70.03 110.858 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 37.6 p -102.83 74.87 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.848 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 87.2 t -115.32 -36.66 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 75.24 111.146 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -58.91 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 63.14 110.92 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -165.9 169.08 15.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.76 149.46 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 70.53 111.14 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -67.13 -173.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 62.31 110.906 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -140.45 110.84 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.827 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -152.19 127.91 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 62.32 110.889 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.7 m -170.02 176.48 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 74.01 110.885 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -117.5 -138.52 6.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 44.23 112.474 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -135.29 172.53 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 63.32 111.127 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -145.31 142.26 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.872 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.89 145.86 23.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 54.44 110.832 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.22 -48.74 3.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 64.24 112.469 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -89.74 -31.61 17.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 52.52 110.876 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.68 -31.66 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.54 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -49.63 -53.19 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.25 110.846 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -90.93 -29.76 17.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 71.42 110.955 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . 0.403 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.4 tt0 -50.49 -47.64 57.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.9 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.699 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.6 ptmt -49.39 -51.1 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 74.23 110.938 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -59.36 -61.55 2.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 72.04 110.875 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.661 HG12 HD23 ' B' ' 554' ' ' LEU . 60.6 t -51.86 -56.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 70.33 111.201 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -43.19 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 75.53 110.891 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.803 HG12 HD23 ' A' ' 123' ' ' LEU . 71.2 t -67.09 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.079 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.778 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -61.72 -45.45 93.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 65.22 110.945 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.661 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -77.26 -27.83 53.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.874 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -75.92 -32.69 59.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.888 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -32.28 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.04 110.902 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.27 -75.62 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 73.35 112.487 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.12 -75.03 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 71.33 110.938 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.55 -174.81 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.906 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -59.97 158.08 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 50.04 111.081 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' B' ' 554' ' ' LEU . 14.1 pt -153.04 137.38 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 73.03 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.925 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.9 mtt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.786 0.327 . . . . 74.2 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.21 148.67 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 71.45 110.891 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -117.09 133.67 55.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.871 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.1 m -132.08 179.63 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 45.25 110.868 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.68 -176.35 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.54 111.062 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -90.17 153.92 20.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.023 0.44 . . . . 65.05 110.841 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -149.36 146.98 27.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 70.1 110.915 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -59.86 -173.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 52.35 110.861 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -154.09 146.21 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 34.1 110.862 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.61 69.96 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.13 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' ILE . 11.4 tt -115.52 116.72 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 74.14 111.058 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.5 t -114.3 36.28 3.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 61.02 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.1 p -87.27 -174.33 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 74.11 110.859 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 m -89.0 73.91 8.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 73.52 110.887 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 tt -51.84 -33.43 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.093 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -52.14 -34.52 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 63.45 110.868 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.9 t -51.11 -41.41 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 44.32 110.949 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.12 -29.6 24.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.938 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -51.76 -26.68 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 70.52 110.909 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.81 -31.31 6.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.95 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.32 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 72.22 110.868 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -54.25 -44.06 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.884 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.8 HG21 ' CE2' ' B' ' 553' ' ' TYR . 61.1 p -58.15 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 53.31 111.139 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.627 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.1 tptm -53.76 -43.38 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.858 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 96' ' ' LEU . 9.4 tt0 -60.87 -44.86 96.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.898 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.14 79.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 52.42 110.922 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.06 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.43 111.128 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 97' ' ' THR . 2.4 pp -54.86 -40.6 69.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.578 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.2 p -60.76 -47.72 85.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.158 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -29.61 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 70.44 110.9 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -74.49 -39.62 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 64.11 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -80.75 -43.59 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.483 . . . . 64.35 110.863 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.77 -37.8 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 74.32 110.878 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -134.98 73.05 66.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 73.3 110.844 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.7 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.642 2.228 . . . . 74.22 112.322 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.528 ' OE1' HD12 ' A' ' 115' ' ' LEU . 0.8 OUTLIER -51.34 -35.57 38.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 72.42 110.953 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -63.03 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.869 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 mmt -75.22 -23.79 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 62.3 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -84.09 -48.34 9.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 71.14 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.77 116.77 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 72.53 110.873 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.58 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 73.22 110.871 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.71 -36.22 62.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.664 ' OD2' HD21 ' A' ' 144' ' ' LEU . 32.1 t0 -58.04 -56.9 16.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.912 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -52.17 -42.42 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 62.45 110.837 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -57.9 -60.01 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 62.52 110.921 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -52.02 -40.38 60.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.711 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -64.59 -38.86 92.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.882 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.0 ttp -65.5 -58.87 4.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.92 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -51.89 -46.32 64.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 75.24 111.191 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.688 ' O ' HG13 ' A' ' 122' ' ' VAL . 7.4 tt0 -67.99 -41.41 82.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.596 ' O ' HD22 ' A' ' 123' ' ' LEU . 10.2 t80 -60.39 -26.14 66.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.891 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -84.76 -39.77 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 75.1 110.919 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -72.05 -31.28 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.901 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 118' ' ' GLU . 27.5 m -76.4 -13.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 71.34 111.162 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.796 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -86.55 -32.96 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.938 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.53 -31.59 15.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 6.2 tt0 -48.21 -60.13 4.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 64.13 110.887 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.4 Cg_endo -69.72 154.49 67.81 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.706 2.271 . . . . 61.24 112.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.7 -18.17 49.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 51.41 112.486 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.52 ' O ' HD23 ' A' ' 131' ' ' LEU . 74.6 m -83.17 50.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 75.43 110.862 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -56.24 -17.16 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 70.44 110.862 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -86.45 23.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 62.11 110.862 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.09 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -86.94 163.68 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 65.34 110.899 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.461 ' O ' HD12 ' A' ' 131' ' ' LEU . 5.7 m -62.48 140.68 58.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.926 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.734 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -59.26 -20.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.04 111.157 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -66.28 -37.22 84.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.734 ' HB2' HD13 ' A' ' 131' ' ' LEU . 31.6 mm-40 -73.0 -43.24 62.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 63.55 110.963 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.09 HG23 HD11 ' A' ' 131' ' ' LEU . 2.2 p -53.5 -55.74 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 52.25 111.164 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.32 -47.5 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 139' ' ' ALA . 4.5 tt -51.91 -52.33 50.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.965 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.477 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -61.69 -51.9 66.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 44.04 111.093 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.612 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.65 -40.12 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 73.32 111.113 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -65.29 -59.29 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -55.95 -35.77 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 65.25 110.838 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -68.78 -32.59 72.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.711 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.1 tp -61.85 -35.88 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 62.04 110.987 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.694 HE21 HD23 ' A' ' 144' ' ' LEU . 9.6 mp0 -102.88 32.8 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 54.3 110.957 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -114.57 -63.58 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.138 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.912 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.793 0.33 . . . . 52.22 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -176.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 50.3 110.939 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.37 160.24 43.27 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 74.23 110.909 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -48.16 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.704 2.27 . . . . 74.43 112.301 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 3.4 pp -173.33 177.59 2.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.315 -0.402 . . . . 75.22 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.419 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -114.46 97.27 45.9 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.574 0.702 . . . . 73.11 111.137 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.5 Cg_endo -69.81 132.92 24.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.248 . . . . 71.15 112.36 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -150.51 154.58 37.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.825 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -163.26 169.69 18.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.21 111.161 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.02 104.44 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 74.31 110.842 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -115.13 -73.5 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 70.03 110.956 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 39.5 t -102.58 33.68 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.884 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.25 -34.81 38.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 75.24 111.119 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -92.94 140.65 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 63.14 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -123.56 134.5 53.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.944 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.54 149.73 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 70.53 111.158 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -81.14 176.95 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.955 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -95.24 114.59 26.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.889 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -138.9 148.55 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 62.32 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.56 128.62 10.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 74.01 110.866 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 121.5 44.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 44.23 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -139.49 174.43 10.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 63.32 111.064 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -145.16 124.77 13.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 74.22 110.922 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 39.2 t -174.68 165.49 3.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 54.44 110.906 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 145.07 -119.67 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 64.24 112.487 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.72 -31.62 17.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.837 0.351 . . . . 52.52 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.69 -31.91 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.54 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -53.13 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.832 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.5 pp -90.98 -28.66 17.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.877 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.02 -47.3 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 64.45 110.944 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.5 ptmt -49.92 -50.83 44.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.905 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.503 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.3 m95 -59.56 -61.41 2.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.913 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.627 HG21 ' HD2' ' A' ' 92' ' ' LYS . 59.6 t -52.08 -56.39 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 70.33 111.153 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -42.9 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.53 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.796 HG12 HD23 ' A' ' 123' ' ' LEU . 78.1 t -68.37 -39.7 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.21 111.085 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.8 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.36 -46.01 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 65.22 110.916 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.512 HD23 HG12 ' B' ' 550' ' ' VAL . 1.0 OUTLIER -79.17 -28.06 42.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.44 110.883 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.1 -32.91 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.858 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -32.48 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.879 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -58.85 -72.61 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.751 -0.738 . . . . 73.35 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.08 -57.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 71.33 110.963 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -171.05 179.28 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.54 155.91 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 50.04 111.078 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt -152.64 131.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 73.03 111.12 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.909 179.865 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.789 0.328 . . . . 74.2 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -57.95 120.42 8.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.855 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -150.36 169.16 22.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.894 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -109.56 51.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 45.25 110.821 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.6 159.29 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 73.54 111.107 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.0 m -97.76 145.86 25.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 65.05 110.898 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.6 171.73 15.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 70.1 110.881 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.12 153.84 34.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 52.35 110.832 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.8 t -124.32 170.56 10.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 34.1 110.883 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.64 63.42 4.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 71.44 111.087 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' ILE . 5.1 tp -126.19 117.4 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.144 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 p -125.49 132.19 52.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 61.02 110.885 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.2 t -174.6 172.82 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.859 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.05 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.52 110.858 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.2 tt -90.16 -34.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.109 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -71.2 -34.78 71.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 63.45 110.846 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.4 t -79.8 -36.41 37.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 44.32 110.948 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.87 -28.68 16.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -50.17 -28.21 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 70.52 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -49.17 -31.25 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 74.1 110.959 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -61.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 72.22 110.867 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.78 -45.85 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.903 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.782 HG21 ' CE2' ' B' ' 553' ' ' TYR . 82.4 p -59.17 -55.61 32.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 53.31 111.112 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.437 ' HG3' HD13 ' B' ' 546' ' ' LEU . 1.7 ttmt -51.59 -47.47 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 75.23 110.893 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HA ' HD21 ' A' ' 96' ' ' LEU . 33.6 tt0 -59.09 -44.75 91.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.916 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.72 -35.05 76.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 52.42 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.93 -60.89 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.085 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 97' ' ' THR . 2.5 pp -54.65 -38.16 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.883 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.584 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.5 p -64.04 -46.34 84.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -27.09 62.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.936 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.28 -35.06 36.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 64.11 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -83.66 -41.88 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.35 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.29 -37.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -135.21 72.35 66.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 73.3 110.811 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 78.16 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 74.22 112.292 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.459 HE21 HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -60.14 -35.03 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.947 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.29 -35.68 67.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.1 ttt -74.46 -23.42 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 62.3 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -73.55 -42.6 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 71.14 110.775 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.94 115.76 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.53 110.927 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -30.38 22.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.926 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.8 -39.57 43.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.842 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -51.9 -41.1 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.857 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -53.87 -61.44 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.45 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -53.25 -48.85 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 62.52 110.813 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.38 -48.21 74.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.746 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.1 tt -65.96 -36.4 83.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.35 110.875 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.6 ttp -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.897 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 5.0 t -60.22 -45.21 93.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.117 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.715 ' O ' HG13 ' A' ' 122' ' ' VAL . 22.2 mt-10 -64.22 -29.52 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 73.11 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.598 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 16.8 t80 -78.51 -30.26 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 75.54 110.888 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.443 ' HG3' HG11 ' B' ' 552' ' ' VAL . 4.2 mtpm? -81.6 -25.49 35.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.915 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.424 ' HG2' ' HA ' ' A' ' 118' ' ' GLU . 0.7 OUTLIER -84.88 -36.52 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.953 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 118' ' ' GLU . 27.2 m -70.37 -13.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 71.34 111.146 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.815 HD23 HG12 ' B' ' 552' ' ' VAL . 0.2 OUTLIER -83.5 -39.31 20.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.93 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.8 mt -93.13 -28.32 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.934 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.4 tp10 -46.96 -60.39 3.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.72 . . . . 64.13 110.885 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.2 Cg_endo -69.65 160.17 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.721 2.28 . . . . 61.24 112.41 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.66 -22.16 37.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 51.41 112.456 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.492 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.5 m -84.49 49.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 75.43 110.773 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -14.48 7.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 70.44 110.918 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -85.03 23.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.962 HD11 HG23 ' A' ' 136' ' ' THR . 3.6 pp -88.13 160.86 17.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.907 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.61 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -56.57 165.98 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.857 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.709 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.3 tt -79.19 -19.19 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 72.04 111.165 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -67.38 -39.44 85.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.12 110.936 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.505 ' HB2' HD13 ' A' ' 131' ' ' LEU . 2.0 mt-30 -70.85 -44.12 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 63.55 110.91 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.962 HG23 HD11 ' A' ' 131' ' ' LEU . 1.4 p -52.31 -57.59 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 52.25 111.157 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.568 HD23 ' CE2' ' A' ' 119' ' ' PHE . 67.2 mt -63.39 -50.13 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.893 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.13 -45.02 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.829 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.36 -55.53 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 44.04 111.086 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.613 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -51.87 -42.41 62.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.077 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -63.47 -64.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.855 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.4 -30.89 42.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 65.25 110.9 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -77.22 -31.15 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.855 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 115' ' ' LEU . 57.4 tp -52.57 -35.26 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.948 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -99.61 -53.9 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 54.3 110.949 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.42 30.8 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.03 111.079 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 75.04 110.96 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.812 0.339 . . . . 52.22 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 21.9 mtt -133.23 150.44 51.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 50.3 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.59 158.45 1.52 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 74.23 110.836 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -47.8 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 74.43 112.398 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.39 176.29 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.873 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.415 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -119.91 97.11 49.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.602 0.715 . . . . 73.11 111.219 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 54.7 Cg_endo -69.68 152.29 69.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.719 2.28 . . . . 71.15 112.378 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -64.63 124.76 22.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.946 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -149.28 167.95 24.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 74.21 111.173 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . 0.448 ' HB3' HG11 ' B' ' 530' ' ' VAL . 0.9 OUTLIER -75.79 105.79 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.829 -179.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -107.94 -74.99 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 70.03 110.89 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 8.3 t -107.5 34.14 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.846 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . 0.448 HG11 ' HB3' ' B' ' 527' ' ' SER . 7.5 p -70.36 138.99 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.168 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -58.29 172.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.14 110.913 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -161.88 149.7 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 72.53 110.884 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.28 126.08 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.137 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.48 -173.08 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 62.31 110.852 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -137.32 119.36 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.935 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -107.52 62.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 3.4 m -160.95 102.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.01 110.897 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 112.04 -147.87 18.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 44.23 112.427 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -131.95 167.18 20.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.311 . . . . 63.32 111.077 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -145.46 125.26 13.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.864 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 1.9 t -173.54 179.31 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 54.44 110.846 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -68.39 -32.05 75.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 64.24 112.505 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -89.04 -31.21 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 52.52 110.848 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -48.51 -32.17 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -49.85 -53.22 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.949 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.437 HD13 ' HG3' ' A' ' 92' ' ' LYS . 4.3 pp -90.65 -27.43 19.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.904 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -47.86 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 64.45 110.951 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.711 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.0 ptmt -49.32 -52.61 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.839 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.536 ' CH2' HD22 ' A' ' 115' ' ' LEU . 73.0 m95 -58.86 -61.42 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 72.04 110.911 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.51 HG12 HD23 ' B' ' 554' ' ' LEU . 59.2 t -51.05 -56.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 70.33 111.125 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -42.65 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 75.53 110.901 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.815 HG12 HD23 ' A' ' 123' ' ' LEU . 99.5 t -67.99 -40.68 83.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.102 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.782 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 65.22 110.93 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.51 HD23 HG12 ' B' ' 550' ' ' VAL . 2.1 pp -79.95 -27.78 39.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 74.44 110.875 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -73.18 -33.51 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.873 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.22 -31.26 19.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.875 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -66.97 -73.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 73.35 112.525 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.8 -63.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 71.33 110.917 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -175.19 -172.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.862 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.15 156.7 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 50.04 111.072 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 10.0 pt -153.62 129.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.03 111.131 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 21.6 pttm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.908 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 41.7 mtt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.772 0.32 . . . . 74.2 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -85.17 162.7 19.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 71.45 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -150.08 126.31 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -174.5 137.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 45.25 110.884 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.47 160.95 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 73.54 111.057 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.5 p -71.51 161.52 30.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 65.05 110.892 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -170.34 113.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 70.1 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 m120 63.53 62.46 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 52.35 110.919 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -75.17 158.96 32.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 34.1 110.871 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -127.96 48.41 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 71.44 111.138 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.7 mt -121.89 117.67 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 74.14 111.186 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.9 t -57.52 -74.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 61.02 110.816 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.5 p -78.46 68.1 4.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.908 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -109.66 -169.46 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 73.52 110.865 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.521 HG22 ' HG2' ' A' ' 87' ' ' LYS . 3.5 mp -51.22 -33.67 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 74.14 111.159 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -50.72 -35.74 32.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 63.45 110.8 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.0 t -56.77 -43.95 81.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 44.32 110.851 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -85.0 -25.88 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.91 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 91' ' ' THR . 26.9 mmtt -50.94 -28.65 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 70.52 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -48.79 -32.17 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -61.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.909 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -57.02 -37.39 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.936 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.773 HG21 ' CE2' ' B' ' 553' ' ' TYR . 77.6 p -63.17 -56.69 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 53.31 111.149 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -44.55 72.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.851 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.454 ' HA ' HD21 ' A' ' 96' ' ' LEU . 24.8 tt0 -60.97 -44.54 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.894 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -62.9 -34.69 77.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 52.42 110.903 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.98 -59.5 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 72.43 111.11 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -56.07 -38.01 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.935 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.597 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -63.84 -46.66 84.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 75.23 111.187 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -25.7 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.886 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -81.57 -35.13 30.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 64.11 110.956 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -84.67 -35.51 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 64.35 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.38 -40.15 62.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -131.25 66.26 78.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 73.3 110.899 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 76.26 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.243 . . . . 74.22 112.372 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.733 ' OE1' HD12 ' A' ' 115' ' ' LEU . 9.1 pt20 -68.36 -34.3 75.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.42 110.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -54.63 -35.09 63.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.934 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.47 -23.44 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 62.3 110.909 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -46.8 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 71.14 110.847 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.89 144.68 37.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.899 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -83.82 -38.66 20.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.967 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.77 -37.63 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.925 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.14 -57.13 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 75.41 110.821 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -56.8 -50.79 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 62.45 110.9 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -52.89 -59.77 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 62.52 110.878 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.86 -41.94 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.766 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -64.91 -39.12 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.95 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.431 ' HE3' ' HE2' ' B' ' 548' ' ' LYS . 17.6 tpp -63.42 -58.98 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.923 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -53.18 -47.28 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.185 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.71 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.8 tt0 -66.09 -41.03 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.11 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.584 ' O ' HD13 ' A' ' 123' ' ' LEU . 12.0 t80 -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.498 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.4 mtpp -83.49 -31.61 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.867 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -32.99 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.869 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 118' ' ' GLU . 28.6 m -72.76 -13.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 71.34 111.075 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.842 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -83.89 -39.42 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.925 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.3 mt -91.81 -29.21 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.911 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 7.5 tt0 -46.76 -60.16 4.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 64.13 110.916 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 159.19 54.32 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.244 . . . . 61.24 112.352 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.1 -23.05 33.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 51.41 112.54 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.58 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.0 m -84.11 49.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 75.43 110.862 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -18.52 6.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.873 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -82.08 24.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 62.11 110.944 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.998 HD11 HG23 ' A' ' 136' ' ' THR . 3.7 pp -85.69 163.95 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 65.34 110.881 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.541 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.94 145.37 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.828 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.772 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.6 tt -62.06 -19.92 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 72.04 111.16 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.51 -39.94 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 131' ' ' LEU . 32.7 mm-40 -71.53 -44.75 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 63.55 110.91 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.998 HG23 HD11 ' A' ' 131' ' ' LEU . 6.4 p -51.46 -59.68 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 52.25 111.195 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -48.7 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.938 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -51.08 -61.86 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 71.33 110.924 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.456 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -51.59 -53.27 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 44.04 111.085 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -52.86 -33.64 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.118 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -74.84 -64.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.15 -34.8 46.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.92 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -67.82 -33.61 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.869 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.766 HD22 ' HG ' ' A' ' 115' ' ' LEU . 11.9 tp -65.53 -35.29 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 62.04 110.869 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.723 HE21 HD23 ' A' ' 144' ' ' LEU . 9.3 mp0 -104.38 34.47 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 54.3 110.937 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.43 140.23 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.03 111.092 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.861 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 19.7 m170 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.87 0.366 . . . . 52.22 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 6.6 ttp -170.88 173.94 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 50.3 110.927 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.21 160.19 72.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.659 0.743 . . . . 74.23 110.859 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.626 2.217 . . . . 74.43 112.396 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -173.33 -169.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 2.8 p -104.72 97.47 12.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 73.11 111.131 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 158.43 57.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 71.15 112.372 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -116.37 128.11 55.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.828 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -177.05 -178.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.08 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.76 149.52 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 74.31 110.831 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -111.67 -67.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 70.03 110.855 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.2 t -134.64 52.58 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.907 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.21 127.31 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 75.24 111.142 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.22 -175.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 63.14 110.914 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -154.47 148.0 25.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.871 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.5 pt -121.63 121.12 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 70.53 111.1 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . 0.43 HD12 ' O ' ' B' ' 535' ' ' LYS . 1.5 pp -82.12 149.64 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 62.31 110.954 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.43 ' O ' HD12 ' B' ' 534' ' ' LEU . 0.0 OUTLIER -90.3 147.04 23.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.898 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . 0.425 ' HG2' HD11 ' B' ' 534' ' ' LEU . 50.3 mt-30 -137.1 -170.16 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 62.32 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.3 m -135.8 -171.71 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 74.01 110.854 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -156.89 178.6 33.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 44.23 112.456 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -168.7 171.23 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 63.32 111.134 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -145.41 160.15 42.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.934 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 30.2 t -160.68 164.29 31.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 54.44 110.848 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 54.62 33.0 54.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 64.24 112.503 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.16 -33.32 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 52.52 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -48.49 -31.93 7.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 73.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.85 -53.8 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.911 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.18 -29.69 17.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.94 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -46.38 53.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 64.45 110.929 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.684 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.0 ptmt -51.1 -50.07 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -60.77 -62.29 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.991 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 60.1 t -51.2 -53.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 70.33 111.147 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -46.52 25.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 75.53 110.896 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.842 HG12 HD23 ' A' ' 123' ' ' LEU . 91.1 t -66.72 -33.51 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.112 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.773 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -61.15 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 65.22 110.903 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -87.69 -19.12 28.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.876 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -81.42 -34.43 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.9 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . 0.41 ' HD3' ' HB3' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.04 -28.39 62.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.04 110.915 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -69.27 -76.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 73.35 112.492 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.68 -75.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 71.33 110.945 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -147.56 -174.56 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 64.14 110.89 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.94 164.67 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 50.04 111.124 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 12.2 pt -152.92 132.7 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 73.03 111.132 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.875 179.877 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.721 0.296 . . . . 74.2 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -53.61 143.53 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.876 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -96.87 122.19 39.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 71.13 110.891 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.1 t -81.37 92.62 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 45.25 110.867 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.22 117.33 13.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 73.54 111.143 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -76.08 133.7 40.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 65.05 110.908 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -137.53 152.94 50.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 70.1 110.881 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -159.91 111.54 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 52.35 110.918 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.9 m -142.2 138.98 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 34.1 110.83 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.28 79.19 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 71.44 111.137 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.2 tp -126.92 -37.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.119 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.9 t -92.03 -36.28 13.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 61.02 110.887 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 t 63.15 40.07 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.892 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -156.33 119.95 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.845 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.4 mm -85.04 -35.9 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.134 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -54.25 -35.77 62.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 63.45 110.888 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.8 t -66.33 -48.86 68.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 44.32 110.884 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -51.68 -29.02 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.864 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 91' ' ' THR . 21.7 mmtp -51.21 -26.79 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 70.52 110.904 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.45 7.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.888 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -66.08 -61.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.864 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -54.85 -41.93 71.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.935 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.81 HG21 ' CE2' ' B' ' 553' ' ' TYR . 65.9 p -59.63 -54.17 49.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 53.31 111.146 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.673 ' HD2' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -54.23 -45.59 72.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 75.23 110.886 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 97' ' ' THR . 31.0 tt0 -59.81 -45.7 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.888 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.49 -33.97 76.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 52.42 110.943 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -60.52 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 72.43 111.173 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.629 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.4 pp -55.58 -40.63 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -59.96 -52.38 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.23 111.173 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -28.28 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.915 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -72.66 -47.22 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.91 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -74.96 -42.15 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 64.35 110.903 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -68.97 -36.45 77.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.937 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -137.89 73.73 45.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 73.3 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 107.64 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 74.22 112.336 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.546 ' OE1' HD12 ' A' ' 115' ' ' LEU . 7.8 tp60 -73.84 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.924 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.92 -35.58 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.935 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.4 tpt -75.89 -23.46 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 62.3 110.889 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -89.42 -44.62 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -156.36 105.57 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 72.53 110.842 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -51.73 -36.19 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 73.22 110.83 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -70.26 -41.2 73.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 73.11 110.928 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.651 ' OD2' HD21 ' A' ' 144' ' ' LEU . 11.9 t0 -62.04 -42.13 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.47 -48.85 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 62.45 110.913 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -60.26 -56.01 26.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 62.52 110.867 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.88 -43.94 63.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 72.44 110.898 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.716 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.61 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 72.35 110.901 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -61.84 -59.45 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 75.03 110.923 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.3 t -54.68 -47.22 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.24 111.159 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.705 ' O ' HG13 ' A' ' 122' ' ' VAL . 9.8 tp10 -65.05 -35.23 80.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.872 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.864 ' O ' HD23 ' A' ' 123' ' ' LEU . 7.9 t80 -68.93 -26.57 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 75.54 110.814 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -82.95 -30.15 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.949 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -81.52 -32.01 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.946 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 118' ' ' GLU . 35.0 m -72.43 -14.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 71.34 111.109 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 119' ' ' PHE . 2.1 mm? -80.55 -40.5 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.915 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -93.12 -29.45 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -43.89 -60.49 2.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.737 0.779 . . . . 64.13 110.963 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.7 Cg_endo -69.74 158.34 57.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.684 2.256 . . . . 61.24 112.391 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.87 -16.55 56.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 51.41 112.501 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.7 m -81.79 51.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 75.43 110.842 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -21.98 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 70.44 110.837 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -86.4 24.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 62.11 110.878 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.685 HD11 HG22 ' A' ' 136' ' ' THR . 3.9 pp -82.32 164.56 21.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 65.34 110.927 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -75.3 146.53 40.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.794 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.655 HD13 ' HB ' ' A' ' 91' ' ' THR . 0.6 OUTLIER -56.11 -34.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 72.04 111.14 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.92 -35.52 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 75.12 110.931 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.653 ' HB2' HD13 ' A' ' 131' ' ' LEU . 24.0 mm-40 -76.28 -34.73 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.55 110.951 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.685 HG22 HD11 ' A' ' 131' ' ' LEU . 18.2 p -59.53 -50.22 74.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 52.25 111.144 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.5 mt -74.08 -45.06 51.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.843 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 138' ' ' LEU . 10.4 tt -58.17 -45.34 87.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.841 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.05 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 44.04 111.07 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -55.91 -35.21 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.089 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -71.55 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.12 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -55.2 -37.08 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 65.25 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -66.24 -33.45 75.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.716 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.5 tp -63.75 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 62.04 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.707 HE21 HD23 ' A' ' 144' ' ' LEU . 9.5 mp0 -104.51 34.02 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 54.3 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -101.63 -46.92 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.03 111.062 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 75.04 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 14.5 m170 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 52.22 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 8.0 mtt -136.81 146.93 46.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 50.3 110.916 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.52 158.56 1.44 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 74.23 110.885 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . 0.435 ' HB2' HD23 ' B' ' 522' ' ' LEU . 53.2 Cg_endo -69.86 -48.3 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.646 2.23 . . . . 74.43 112.319 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' B' ' 521' ' ' PRO . 0.7 OUTLIER -174.65 173.41 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 75.22 110.947 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.408 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -129.1 97.22 26.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.523 0.677 . . . . 73.11 111.138 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.4 Cg_endo -69.73 -176.18 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.733 2.289 . . . . 71.15 112.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -168.95 173.88 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 74.23 110.898 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -154.25 -179.39 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 74.21 111.085 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.75 115.41 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.829 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.52 -166.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 70.03 110.831 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 29.5 m -68.33 84.44 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.864 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 97.1 t -121.19 -37.56 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 75.24 111.1 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -53.35 152.2 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 63.14 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -152.92 167.21 29.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.895 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -142.19 149.52 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 70.53 111.102 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 1.5 pp -82.52 134.8 35.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 62.31 110.874 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -148.18 123.58 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.878 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -151.82 143.79 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.32 110.913 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.3 147.37 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 74.01 110.85 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 177.79 149.45 7.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 44.23 112.45 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -175.51 167.76 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 63.32 111.04 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -145.22 122.86 11.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.924 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.74 153.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 54.44 110.916 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -104.38 29.19 12.4 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.792 -0.718 . . . . 64.24 112.511 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -90.37 -33.95 15.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 52.52 110.849 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.22 -31.62 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.877 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -49.29 -53.08 23.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 75.25 110.935 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.3 pp -91.15 -29.13 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.921 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -47.6 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 64.45 110.882 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -48.92 -50.51 34.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.831 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.598 ' CH2' HD22 ' A' ' 115' ' ' LEU . 63.4 m95 -60.39 -60.86 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 72.04 110.973 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.673 HG21 ' HD2' ' A' ' 92' ' ' LYS . 60.3 t -52.83 -57.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.164 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -37.97 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.888 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.39 -42.56 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.151 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.81 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.3 -41.25 88.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.97 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.7 pp -83.65 -27.63 28.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.96 -33.68 66.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.894 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . 0.734 ' CD ' HD12 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -84.05 -31.99 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 73.04 110.854 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.16 -70.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 73.35 112.508 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -144.76 -49.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 71.33 110.944 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -169.78 178.55 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.14 110.9 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -64.36 161.69 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 50.04 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.8 pt -152.22 133.28 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 73.03 111.193 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.885 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.788 0.328 . . . . 74.2 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.67 142.54 57.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 71.45 110.835 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -114.79 145.02 42.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 71.13 110.836 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 p -84.63 164.43 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.482 . . . . 45.25 110.885 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -114.68 157.65 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.54 111.128 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.6 t 56.48 39.53 29.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 65.05 110.892 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.76 152.85 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 70.1 110.91 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -174.21 131.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 52.35 110.862 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.17 125.31 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 34.1 110.925 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.63 92.53 7.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 71.44 111.048 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.5 mt -147.01 113.19 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.14 111.136 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 p -70.85 -74.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 61.02 110.814 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -66.92 97.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.827 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -170.48 -178.79 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.838 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 tp -51.34 -32.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 74.14 111.1 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -51.42 -35.28 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 63.45 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 t -64.17 -45.02 90.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 44.32 110.878 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.82 -27.99 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 91' ' ' THR . 31.6 mmtm -50.78 -27.34 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 70.52 110.879 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.96 -31.49 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -67.85 -58.97 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.907 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.16 -39.52 72.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.871 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.772 HG21 ' CE2' ' B' ' 553' ' ' TYR . 70.0 p -63.12 -54.95 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 53.31 111.112 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.539 ' HD2' HG21 ' B' ' 550' ' ' VAL . 3.5 tptm -53.19 -48.77 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 75.23 110.955 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 97' ' ' THR . 9.5 tt0 -59.34 -44.99 92.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.862 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -61.01 -34.25 74.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 52.42 110.945 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.43 111.022 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.599 ' HB3' HD22 ' B' ' 546' ' ' LEU . 2.6 pp -54.47 -35.21 62.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.91 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.503 ' N ' HD12 ' A' ' 96' ' ' LEU . 18.2 p -67.4 -44.92 77.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 75.23 111.183 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.3 63.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.847 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -84.12 -33.8 24.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 64.11 110.779 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -82.72 -37.04 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.06 -40.04 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 74.32 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -127.86 66.05 69.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 73.3 110.821 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 75.81 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.616 2.211 . . . . 74.22 112.361 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -81.12 -30.64 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.421 ' HE1' HD13 ' A' ' 115' ' ' LEU . 7.8 m-85 -70.41 -25.86 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.899 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -23.06 59.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 62.3 110.876 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.19 -34.62 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 71.14 110.853 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -131.91 94.15 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.804 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -67.58 -41.46 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.928 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.66 -40.46 60.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.862 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 -40.55 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.844 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -51.84 -48.79 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.922 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.85 -57.32 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 62.52 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -52.78 -44.69 66.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.84 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.71 HD12 HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.57 -36.49 84.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 72.35 110.967 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.1 ttp -63.98 -59.25 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.93 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -54.34 -46.85 72.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.24 111.124 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.733 ' O ' HG13 ' A' ' 122' ' ' VAL . 29.0 mt-10 -65.06 -42.23 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.914 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 16.7 t80 -61.22 -28.96 69.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.54 110.874 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.453 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.3 mtpt -81.8 -31.81 31.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.1 110.929 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -33.83 37.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 118' ' ' GLU . 20.3 m -73.16 -14.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 71.34 111.136 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.821 HD23 HG12 ' B' ' 552' ' ' VAL . 0.2 OUTLIER -82.77 -34.41 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.919 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.33 -28.12 17.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.954 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.3 tp10 -47.81 -59.79 5.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.681 0.753 . . . . 64.13 110.928 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.6 Cg_endo -69.78 154.28 67.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 61.24 112.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.37 -15.41 57.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 51.41 112.469 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.492 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.6 p -83.03 49.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 75.43 110.809 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -18.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.893 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -88.42 24.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 62.11 110.839 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.096 HD11 HG23 ' A' ' 136' ' ' THR . 4.3 pp -87.16 163.28 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 65.34 110.905 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -62.86 140.75 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.812 -179.866 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.79 HD12 ' CG ' ' B' ' 553' ' ' TYR . 8.4 tt -58.94 -20.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 72.04 111.128 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -66.77 -37.5 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.12 110.94 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.721 ' HB2' HD13 ' A' ' 131' ' ' LEU . 30.9 mm-40 -71.95 -43.71 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.55 110.818 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.096 HG23 HD11 ' A' ' 131' ' ' LEU . 1.3 p -53.49 -57.14 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 52.25 111.166 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.51 -49.71 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.936 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.22 -46.61 62.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.33 110.921 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.412 ' HB1' ' HE ' ' A' ' 143' ' ' ARG . . . -63.76 -49.2 73.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 44.04 111.067 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.17 -37.66 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 73.32 111.191 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -68.67 -61.83 1.65 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.13 -0.486 . . . . 71.12 110.897 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.66 -39.9 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 65.25 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.412 ' HE ' ' HB1' ' A' ' 139' ' ' ALA . 4.0 mtt180 -64.14 -33.78 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.21 110.877 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.713 HD23 HE21 ' A' ' 145' ' ' GLN . 9.6 tp -63.92 -35.66 81.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 62.04 110.863 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.713 HE21 HD23 ' A' ' 144' ' ' LEU . 9.1 mp0 -105.47 34.63 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 54.3 110.882 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.49 117.92 22.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.089 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.04 110.967 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 64.0 m170 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.857 0.36 . . . . 52.22 110.845 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 4.5 ptp -160.32 178.8 9.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 50.3 110.937 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.81 160.17 78.86 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.657 0.742 . . . . 74.23 110.874 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -44.54 2.03 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.669 2.246 . . . . 74.43 112.311 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.8 179.31 8.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.892 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . . . . . . . . . 1.8 t -122.78 97.26 44.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.597 0.713 . . . . 73.11 111.113 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 173.56 10.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 71.15 112.383 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -141.97 150.66 41.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.868 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -135.02 -179.47 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.108 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 4.9 p -86.92 128.72 35.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.8 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -118.07 -73.62 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.497 . . . . 70.03 110.86 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 81.7 p -114.41 50.0 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.836 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 57.4 t -110.32 133.53 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 75.24 111.157 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.17 178.17 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 63.14 110.847 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -163.05 150.4 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 72.53 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.4 pt -120.56 126.7 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 70.53 111.083 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . 0.424 ' O ' HD12 ' B' ' 534' ' ' LEU . 3.3 pp -52.96 128.57 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 62.31 110.887 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -112.67 86.69 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -130.7 70.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.32 110.859 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.8 p -179.44 136.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.882 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -77.62 -34.0 41.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.741 . . . . 44.23 112.517 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -100.88 173.02 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 63.32 111.147 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -145.25 124.35 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.867 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 1.2 p -169.89 160.93 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 54.44 110.899 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 104.77 34.07 3.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 64.24 112.479 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -90.04 -32.03 16.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.867 0.365 . . . . 52.52 110.871 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -49.04 -31.74 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.896 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.62 -52.0 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.95 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -91.94 -29.3 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.934 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.21 -45.51 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.972 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.684 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.7 ptmt -50.73 -51.73 47.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.849 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.531 ' CH2' HD22 ' A' ' 115' ' ' LEU . 75.2 m95 -60.46 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 72.04 110.901 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.539 HG21 ' HD2' ' A' ' 92' ' ' LYS . 59.2 t -50.44 -54.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.112 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -45.43 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.821 HG12 HD23 ' A' ' 123' ' ' LEU . 97.0 t -67.16 -35.7 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.121 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.79 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -60.67 -44.55 96.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 65.22 110.89 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.25 -25.84 29.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -74.8 -33.46 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.25 110.864 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -32.12 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.04 110.859 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -57.92 -77.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 73.35 112.507 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -132.69 -50.46 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.789 0.328 . . . . 71.33 110.928 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -174.89 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.897 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -62.84 159.81 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 50.04 111.081 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.7 pt -152.31 137.21 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.03 111.169 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 19.4 pttt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.841 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.822 0.344 . . . . 74.2 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -75.66 153.56 37.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 71.45 110.877 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -97.93 135.31 39.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 71.13 110.87 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.3 m -84.99 167.06 16.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 45.25 110.839 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.51 126.37 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 73.54 111.133 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 p -111.66 78.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 65.05 110.833 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -81.29 163.85 22.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 70.1 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -134.97 -58.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 52.35 110.821 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 m -136.27 145.5 45.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 34.1 110.869 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.61 37.1 4.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 71.44 111.046 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.8 mt -93.33 -39.93 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.14 111.132 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.8 p -81.28 89.55 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.896 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -52.8 144.74 13.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 74.11 110.891 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.5 m -143.38 108.13 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.818 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.433 HD12 ' H ' ' A' ' 83' ' ' ILE . 5.4 mp -82.14 -37.86 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 74.14 111.14 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -52.22 -35.74 50.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 63.45 110.848 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -66.93 -40.28 87.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 44.32 110.863 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -51.76 -29.21 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.868 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 91' ' ' THR . 59.4 mmtt -51.36 -26.4 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 70.52 110.898 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -49.05 -31.47 7.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 74.1 110.928 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -66.31 -61.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.908 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.6 -42.22 67.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.41 110.978 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.795 HG21 ' CE2' ' B' ' 553' ' ' TYR . 68.9 p -60.74 -52.54 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 53.31 111.211 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.407 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.5 tptp -53.85 -47.12 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.969 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HA ' HD21 ' A' ' 96' ' ' LEU . 3.2 tt0 -60.18 -44.44 95.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.933 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -62.82 -34.4 77.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 52.42 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -60.97 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.109 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.62 -38.65 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.92 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.604 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.5 p -63.01 -48.12 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.176 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -25.9 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.831 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -80.02 -35.24 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 64.11 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.04 -37.13 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 64.35 110.914 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -74.68 -36.56 62.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -133.23 68.09 77.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 73.3 110.794 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 73.58 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 74.22 112.34 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.51 -34.85 51.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.93 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -53.33 -31.52 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 72.42 110.908 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.0 ttm -86.78 -23.59 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 62.3 110.893 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -78.73 -44.87 22.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.87 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -156.09 114.14 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.53 110.824 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -51.76 -35.3 43.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 73.22 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.15 -40.94 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 73.11 110.87 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.29 -37.26 69.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.78 -49.17 66.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.32 -49.65 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 72.44 110.948 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.746 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.23 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.922 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 75.03 110.951 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.8 t -55.95 -45.31 78.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.24 111.124 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.719 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.8 tt0 -65.59 -42.77 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 73.11 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.68 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 18.9 t80 -61.37 -29.29 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.894 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.413 ' HG3' HG11 ' B' ' 552' ' ' VAL . 16.0 mtpt -82.0 -32.9 30.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 75.1 110.899 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -78.72 -34.41 45.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.898 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 118' ' ' GLU . 21.7 m -73.3 -16.47 17.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 71.34 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.793 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -81.14 -36.38 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.921 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.9 mt -92.07 -7.86 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.973 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.6 tp10 -65.49 -60.54 7.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 64.13 110.903 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.71 158.8 55.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 61.24 112.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.29 -19.87 44.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 51.41 112.485 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.3 m -82.9 50.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 75.43 110.858 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -51.93 -20.89 2.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 70.44 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -85.36 24.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.929 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.141 HD11 HG23 ' A' ' 136' ' ' THR . 4.0 pp -84.69 164.02 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 65.34 110.937 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.493 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -62.02 140.64 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.84 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.798 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.5 tt -59.59 -20.53 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 72.04 111.111 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -66.45 -38.08 86.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.937 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.736 ' HB2' HD13 ' A' ' 131' ' ' LEU . 32.3 mm-40 -71.04 -44.46 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 63.55 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.141 HG23 HD11 ' A' ' 131' ' ' LEU . 1.8 p -53.46 -58.33 7.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 52.25 111.141 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.427 HD23 ' CE2' ' A' ' 119' ' ' PHE . 48.4 mt -62.68 -49.36 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.896 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.42 -47.37 63.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.67 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 44.04 111.087 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -54.95 -40.2 69.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 73.32 111.109 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -64.38 -63.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.867 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.13 -38.42 65.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.436 . . . . 65.25 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -64.44 -33.74 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.2 tp -64.82 -35.09 79.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.944 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.61 HE21 HD23 ' A' ' 144' ' ' LEU . 9.5 mp0 -104.62 34.17 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 54.3 110.932 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -91.39 111.06 22.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.099 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.944 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.829 0.347 . . . . 52.22 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.55 20.7 12.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 50.3 110.838 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -81.3 156.59 71.33 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.677 0.751 . . . . 74.23 110.798 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -47.64 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.279 . . . . 74.43 112.334 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.29 172.17 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.874 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.404 HG23 ' O ' ' B' ' 523' ' ' THR . 1.8 t -122.05 97.3 45.88 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.59 0.709 . . . . 73.11 111.135 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.91 26.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.626 2.217 . . . . 71.15 112.308 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -129.46 166.21 20.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.815 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -153.75 161.65 41.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.21 111.085 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 75.68 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.31 110.896 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -86.42 -72.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 70.03 110.829 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 13.5 m -100.95 50.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.829 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.66 133.64 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 75.24 111.127 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -146.61 -178.05 5.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 63.14 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -172.46 156.82 3.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 72.53 110.856 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . 0.524 ' O ' HD12 ' B' ' 533' ' ' ILE . 1.2 pp -145.29 160.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 70.53 111.147 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . 0.654 ' C ' HD22 ' B' ' 534' ' ' LEU . 0.0 OUTLIER -51.24 169.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 62.31 110.906 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.545 ' N ' HD22 ' B' ' 534' ' ' LEU . 4.5 mmmm -124.42 123.76 40.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.921 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.49 169.6 8.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 62.32 110.935 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 2.6 m -138.46 -68.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.864 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -158.52 -166.0 16.83 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.716 -0.754 . . . . 44.23 112.501 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -144.87 169.13 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 63.32 111.047 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -145.09 -175.07 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.884 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 3.2 t -176.7 119.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 54.44 110.909 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 93.18 -36.41 3.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 64.24 112.455 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -89.56 -30.42 18.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 52.52 110.836 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -48.46 -32.04 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.54 110.878 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -52.45 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.4 pp -91.9 -30.65 16.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.895 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . 0.474 ' N ' HD12 ' B' ' 546' ' ' LEU . 0.5 OUTLIER -51.8 -46.25 64.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 64.45 110.936 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.702 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.1 ptmt -49.81 -51.38 40.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.868 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -59.53 -61.74 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.407 HG21 ' HD2' ' A' ' 92' ' ' LYS . 57.5 t -51.39 -55.75 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 70.33 111.108 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.06 -43.3 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.793 HG12 HD23 ' A' ' 123' ' ' LEU . 85.5 t -67.91 -38.17 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 73.21 111.129 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.798 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -59.25 -45.74 90.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 65.22 110.943 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.5 pp -81.28 -27.03 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.66 -32.96 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.906 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.39 -32.12 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 73.04 110.874 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -60.42 -76.91 0.2 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 73.35 112.496 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -65.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 71.33 110.833 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -162.2 -176.38 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 64.14 110.87 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -69.21 154.98 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 50.04 111.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.3 pt -152.83 132.03 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.08 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.921 179.826 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.8 0.333 . . . . 74.2 110.852 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.88 155.91 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 71.45 110.932 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -141.39 144.42 34.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.858 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -114.63 129.28 56.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 45.25 110.846 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.86 -44.74 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.54 111.083 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -98.81 80.24 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 65.05 110.858 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -33.29 75.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 70.1 110.859 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 p30 179.61 175.58 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 52.35 110.918 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -113.93 146.31 40.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 34.1 110.866 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -106.73 66.17 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 71.44 111.177 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 79' ' ' ILE . 11.4 tt -119.66 117.0 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.171 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.26 -175.5 4.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 61.02 110.8 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.83 -36.81 8.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.515 . . . . 74.11 110.881 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -38.83 59.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 73.52 110.86 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 tp -51.96 -33.83 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.125 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -54.76 -35.5 63.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 63.45 110.948 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t -76.44 -43.59 39.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 44.32 110.86 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -51.55 -29.44 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 72.23 110.909 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.33 -26.27 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 70.52 110.91 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -48.43 -32.24 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 74.1 110.922 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -68.27 -55.75 11.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -55.39 -46.33 76.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.807 ' HB ' HD13 ' A' ' 133' ' ' ILE . 48.9 p -60.34 -51.44 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 53.31 111.179 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HD3' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -52.48 -50.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.933 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -58.76 -44.44 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.895 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.61 -34.68 77.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 52.42 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.72 -60.82 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.43 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 97' ' ' THR . 2.4 pp -54.84 -39.84 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.41 110.881 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.598 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.4 p -61.47 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.173 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -26.9 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.841 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -76.36 -42.79 43.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 64.11 110.849 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.0 -43.04 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 64.35 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -69.04 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -138.01 73.97 44.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.528 0.68 . . . . 73.3 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.03 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 74.22 112.364 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.663 ' NE2' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -60.78 -36.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.42 110.937 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -67.87 -36.0 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.933 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 30.8 tpp -74.62 -23.71 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 62.3 110.939 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -86.94 -48.19 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.902 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -156.25 139.12 15.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 72.53 110.803 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -71.75 -36.56 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 73.22 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.22 -39.88 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.462 ' OD2' HD21 ' A' ' 144' ' ' LEU . 9.5 t70 -54.66 -52.63 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.845 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.31 -51.27 62.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 62.45 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -57.47 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 62.52 110.901 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -52.1 -42.5 63.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.917 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.727 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.85 -38.03 89.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.869 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -64.46 -58.93 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.6 t -53.59 -46.19 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 75.24 111.151 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.729 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.7 mm-40 -66.52 -42.19 87.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.656 ' CZ ' HD21 ' A' ' 123' ' ' LEU . 19.3 t80 -60.26 -29.27 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.889 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.429 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.6 mtpt -82.71 -33.59 27.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.1 110.873 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.77 -33.33 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 75.21 110.928 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 118' ' ' GLU . 19.8 m -74.72 -16.43 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.34 111.075 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.789 HD23 HG12 ' B' ' 552' ' ' VAL . 0.4 OUTLIER -81.21 -35.52 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.902 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.39 -7.74 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.0 tp10 -66.01 -60.75 6.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 64.13 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.74 158.65 56.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.737 2.291 . . . . 61.24 112.332 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.21 -19.54 45.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 51.41 112.468 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.544 ' O ' HD23 ' A' ' 131' ' ' LEU . 15.0 m -83.14 50.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 75.43 110.828 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -51.64 -20.98 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 70.44 110.898 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -85.78 24.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 62.11 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.08 HD11 HG23 ' A' ' 136' ' ' THR . 4.0 pp -84.75 163.88 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.952 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -63.27 141.0 58.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.904 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.807 HD13 ' HB ' ' A' ' 91' ' ' THR . 1.4 tt -58.87 -20.91 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 72.04 111.175 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -64.54 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.948 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.76 ' HB2' HD13 ' A' ' 131' ' ' LEU . 33.0 mm-40 -72.15 -45.98 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 63.55 110.939 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.08 HG23 HD11 ' A' ' 131' ' ' LEU . 3.0 p -51.64 -56.34 14.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 52.25 111.131 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.42 HD23 ' CE2' ' A' ' 119' ' ' PHE . 64.9 mt -65.42 -45.99 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 73.04 110.887 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 139' ' ' ALA . 3.0 tt -51.76 -53.31 41.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 71.33 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.467 ' N ' HD23 ' A' ' 138' ' ' LEU . . . -62.55 -48.09 81.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 44.04 111.139 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.69 -34.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.078 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -72.48 -61.37 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -55.67 -33.95 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 65.25 110.882 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -68.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.834 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.736 HD23 HE21 ' A' ' 145' ' ' GLN . 13.1 tp -64.42 -35.47 81.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 62.04 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.736 HE21 HD23 ' A' ' 144' ' ' LEU . 9.3 mp0 -104.37 34.07 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 54.3 110.971 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -98.59 119.04 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.086 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 75.04 110.917 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 52.1 t60 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.796 0.332 . . . . 52.22 110.834 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.39 164.91 11.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 50.3 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.0 160.2 3.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 74.23 110.843 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -44.83 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 74.43 112.367 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.91 179.98 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 75.22 110.938 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.405 HG23 ' O ' ' B' ' 523' ' ' THR . 1.8 t -123.42 97.19 42.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.519 0.676 . . . . 73.11 111.146 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.31 66.34 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.658 2.238 . . . . 71.15 112.365 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.62 158.51 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.884 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -131.14 138.7 49.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 74.21 111.134 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.97 178.2 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.838 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -154.7 125.91 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 70.03 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 1.7 t 50.45 31.68 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.848 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 10.7 p -93.18 142.24 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 75.24 111.127 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -144.07 142.06 30.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 63.14 110.934 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -170.52 133.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.875 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.9 149.51 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 70.53 111.119 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . 0.658 ' C ' HD22 ' B' ' 534' ' ' LEU . 0.0 OUTLIER -51.2 169.33 0.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 62.31 110.93 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.555 ' N ' HD22 ' B' ' 534' ' ' LEU . 33.4 mtmt -128.56 89.88 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.888 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -143.47 -176.42 4.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 62.32 110.871 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 58.4 m -57.85 159.24 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.869 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -81.08 59.74 4.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.735 . . . . 44.23 112.478 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -174.96 170.5 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 63.32 111.121 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -145.16 124.42 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.943 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.24 162.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 54.44 110.897 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -149.73 33.87 1.06 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 64.24 112.485 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.14 -34.88 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 52.52 110.911 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -44.86 -32.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -47.79 -56.4 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.966 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.565 HD12 ' N ' ' B' ' 547' ' ' GLN . 4.4 pp -92.27 -32.93 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.914 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . 0.565 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.4 tt0 -50.4 -46.48 56.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.45 110.898 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.704 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.7 ptmt -49.38 -51.42 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.547 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.1 m95 -59.0 -60.23 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.896 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.536 HG12 HD23 ' B' ' 554' ' ' LEU . 58.2 t -51.93 -55.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 70.33 111.117 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -46.25 -41.45 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.789 HG12 HD23 ' A' ' 123' ' ' LEU . 89.4 t -68.89 -39.09 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.21 111.116 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.793 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -60.91 -45.54 94.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.998 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.536 HD23 HG12 ' B' ' 550' ' ' VAL . 0.8 OUTLIER -78.83 -27.69 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 74.44 110.948 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.63 -32.93 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.887 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.84 -32.39 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.885 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -56.18 -74.66 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 73.35 112.497 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -136.97 -49.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 71.33 110.949 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.49 174.23 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.889 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.1 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 50.04 111.122 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 15.7 pt -152.68 130.52 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 73.03 111.091 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.935 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.762 0.315 . . . . 74.2 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.04 127.1 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 71.45 110.861 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -100.55 102.05 13.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.804 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -59.17 152.89 19.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 45.25 110.856 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -141.74 135.99 30.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 73.54 111.086 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.2 t -88.32 96.93 10.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.05 110.899 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tttt 59.43 97.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 70.1 110.921 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -76.33 -178.71 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 52.35 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 m -103.44 140.5 37.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 34.1 110.833 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.42 112.25 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 71.44 111.035 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.9 mt -136.31 81.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 74.14 111.152 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 p -158.06 161.34 38.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 61.02 110.888 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 p -115.01 36.39 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 74.11 110.818 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.8 m -92.28 61.02 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.874 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 55.6 mt -62.19 -40.4 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.14 111.114 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -41.57 81.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.45 110.885 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.84 -40.35 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 44.32 110.921 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -53.59 -27.43 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.595 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -50.53 -27.83 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 70.52 110.874 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -48.95 -31.48 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.964 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.38 -61.58 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.939 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.72 -38.11 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.764 HG21 ' CE2' ' B' ' 553' ' ' TYR . 63.5 p -62.39 -55.82 24.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 53.31 111.147 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HD2' HG21 ' B' ' 550' ' ' VAL . 2.0 tptm -55.12 -43.13 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.912 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HA ' HD21 ' A' ' 96' ' ' LEU . 40.3 tt0 -61.43 -45.29 94.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.41 110.872 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.97 -34.64 77.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 52.42 110.88 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.9 -60.68 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 72.43 111.09 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 97' ' ' THR . 2.9 pp -54.76 -38.86 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 71.41 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.593 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.4 p -62.84 -48.02 80.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 75.23 111.136 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.699 ' CD2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -70.92 -26.9 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 70.44 110.918 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -79.11 -37.65 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 64.11 110.894 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -81.92 -36.71 27.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 64.35 110.922 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.96 -39.44 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -132.13 67.63 79.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 73.3 110.878 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.41 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.736 2.291 . . . . 74.22 112.377 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.78 -36.84 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.42 110.965 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.99 -33.39 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.902 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.2 mtt -74.61 -23.61 58.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 62.3 110.866 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -87.25 -46.46 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 71.14 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.81 117.66 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.883 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -55.67 -36.63 67.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.03 -58.75 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -52.05 -46.86 65.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 62.45 110.907 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.56 -59.2 4.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.927 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -51.78 -43.71 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 72.44 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.775 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -64.08 -38.17 90.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.35 110.9 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.22 -59.93 4.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 75.03 110.894 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.1 t -52.78 -47.09 67.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.191 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.718 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.6 tm-20 -65.92 -41.15 91.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.852 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.566 ' O ' HD13 ' A' ' 123' ' ' LEU . 8.0 t80 -62.39 -24.9 67.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.462 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.2 mtpp -84.45 -35.53 22.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.96 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -77.17 -31.14 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.964 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 118' ' ' GLU . 25.3 m -74.8 -13.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 71.34 111.122 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.84 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.68 -35.08 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 74.02 110.929 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.31 -29.72 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.977 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.6 tt0 -47.99 -60.21 4.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.668 0.747 . . . . 64.13 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 53.9 Cg_endo -69.73 154.62 67.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 61.24 112.389 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.67 -15.69 56.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 51.41 112.518 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.495 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.9 m -82.23 49.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 75.43 110.844 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.89 -19.83 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.902 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -86.58 24.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 62.11 110.865 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.08 HD11 HG23 ' A' ' 136' ' ' THR . 4.4 pp -87.33 161.3 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 65.34 110.928 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.417 ' O ' HD12 ' A' ' 131' ' ' LEU . 1.8 m -62.37 140.39 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.877 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.762 HD12 ' CG ' ' B' ' 553' ' ' TYR . 3.5 tt -58.23 -20.81 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 72.04 111.154 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.43 -36.21 82.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.12 110.924 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.72 ' HB2' HD13 ' A' ' 131' ' ' LEU . 30.7 mm-40 -73.45 -43.34 60.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.905 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.08 HG23 HD11 ' A' ' 131' ' ' LEU . 1.4 p -53.29 -55.44 24.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 52.25 111.167 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 98' ' ' PHE . 4.8 tp -66.78 -48.8 67.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.929 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.88 -50.33 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.31 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 44.04 111.067 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.567 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -53.49 -42.01 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.113 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -66.43 -62.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 71.12 110.917 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.19 -35.13 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 65.25 110.864 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.5 mtt-85 -69.2 -32.96 72.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.775 HD22 ' HG ' ' A' ' 115' ' ' LEU . 13.8 tp -62.7 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.934 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.651 HE21 HD23 ' A' ' 144' ' ' LEU . 9.5 mp0 -104.78 33.73 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 54.3 110.905 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.45 -176.38 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.146 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.428 . . . . 75.04 110.877 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.834 0.349 . . . . 52.22 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 40.6 mtt -132.13 174.97 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 50.3 110.812 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.29 160.21 76.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 74.23 110.848 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.645 2.23 . . . . 74.43 112.337 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.11 -168.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 75.22 110.867 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.411 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 2.5 p -104.53 97.82 13.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.592 0.711 . . . . 73.11 111.144 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.4 Cg_endo -69.72 176.14 7.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 71.15 112.318 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 18.3 t70 59.15 56.63 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.834 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -122.25 54.13 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 74.21 111.132 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 65.8 p -164.28 149.18 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -121.16 -72.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 70.03 110.886 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 95.1 p -131.55 46.94 2.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.864 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 88.4 t -112.86 132.64 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 75.24 111.068 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -152.59 161.71 42.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 63.14 110.868 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . 0.468 ' O ' HG23 ' B' ' 533' ' ' ILE . 3.2 p-10 -135.16 120.3 18.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.53 110.922 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . 0.508 ' O ' HD12 ' B' ' 533' ' ' ILE . 1.2 pp -157.98 163.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 70.53 111.144 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . 0.479 ' H ' HD23 ' B' ' 534' ' ' LEU . 1.4 pt? -59.17 165.97 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.31 110.93 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -86.72 77.28 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.912 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -107.34 -32.91 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 62.32 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.65 32.22 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.01 110.883 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 117.26 157.36 10.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 44.23 112.447 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -102.19 161.51 13.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 63.32 111.113 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -122.22 126.28 47.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.951 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 8.0 t -179.28 111.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 54.44 110.825 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.09 -44.5 2.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 64.24 112.484 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -89.9 -31.25 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 52.52 110.848 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -48.79 -31.93 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.832 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -52.89 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.923 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.5 pp -91.14 -29.1 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.932 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -46.19 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.886 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.69 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.9 ptmt -51.2 -50.66 58.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.859 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -60.01 -62.22 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.889 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.577 HG21 ' HD2' ' A' ' 92' ' ' LYS . 52.9 t -51.36 -54.0 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.178 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -43.84 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.9 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.84 HG12 HD23 ' A' ' 123' ' ' LEU . 96.0 t -68.62 -35.67 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 73.21 111.131 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.764 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.61 -43.99 93.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 65.22 110.874 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 pp -85.27 -26.67 26.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.864 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -73.48 -33.46 64.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.865 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -31.74 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.883 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -59.91 -80.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 73.35 112.51 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -131.43 -50.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 71.33 110.921 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.83 -169.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -63.91 163.73 11.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 50.04 111.102 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt -152.97 131.86 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.133 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.844 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 60.1 mtp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.764 0.316 . . . . 74.2 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -76.77 127.64 33.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.849 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 53.86 45.7 27.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 71.13 110.858 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 t 53.45 54.43 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 45.25 110.84 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -168.12 143.59 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 73.54 111.113 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.8 m -120.63 134.99 55.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 65.05 110.907 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -83.44 126.27 32.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 70.1 110.839 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -176.26 -178.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 52.35 110.915 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -60.4 115.63 3.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 34.1 110.847 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.2 109.29 21.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 71.44 111.093 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.3 mt -117.6 70.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.5 t -102.03 174.65 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 61.02 110.819 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.2 t -133.82 -41.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.862 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -95.27 36.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 73.52 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.5 tt -85.01 -34.44 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 74.14 111.106 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -53.6 -34.0 56.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 63.45 110.89 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.2 m -50.75 -38.25 46.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 44.32 110.873 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -85.19 -30.16 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.869 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -25.47 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 70.52 110.904 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -48.23 -32.32 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -67.91 -55.17 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.939 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -54.18 -44.37 71.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.913 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.808 HG21 ' CE2' ' B' ' 553' ' ' TYR . 32.2 p -62.77 -49.86 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 53.31 111.138 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.668 ' HG3' HD11 ' B' ' 546' ' ' LEU . 1.7 tptm -52.98 -49.94 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.895 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 96' ' ' LEU . 83.8 tt0 -61.45 -45.16 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.901 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.42 -34.54 76.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 52.42 110.884 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.59 ' HB3' HD12 ' B' ' 546' ' ' LEU . . . -68.09 -60.48 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.195 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' B' ' 546' ' ' LEU . 2.9 pp -54.99 -38.07 67.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.927 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.597 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -64.0 -46.87 82.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.148 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -26.13 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.848 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -80.82 -35.0 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.892 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -84.56 -36.86 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.919 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -74.45 -38.56 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -132.72 67.3 78.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 73.3 110.848 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 74.22 112.331 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.09 -40.82 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -56.06 -34.17 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.915 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 tpt -74.49 -23.53 58.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 62.3 110.949 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -87.5 -40.13 14.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -156.2 103.98 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.823 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -51.26 -39.49 56.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 73.22 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.66 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 73.11 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.79 -46.3 91.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -52.28 -47.97 65.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 62.45 110.85 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.13 -59.67 4.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 62.52 110.891 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -52.39 -41.6 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.947 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.754 ' HG ' HD22 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -64.83 -39.36 93.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.35 110.872 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.51 -58.87 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.905 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.5 t -53.56 -46.75 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 75.24 111.141 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.71 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.5 tp10 -65.99 -41.89 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.576 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.1 t80 -62.12 -27.79 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.864 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.517 ' HG3' HG11 ' B' ' 552' ' ' VAL . 9.6 mtpp -83.13 -31.51 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.1 110.906 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -80.8 -33.64 34.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 75.21 110.861 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 118' ' ' GLU . 26.8 m -72.07 -14.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 71.34 111.178 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.85 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -82.81 -41.81 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.892 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.6 tp -93.14 -8.44 42.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.846 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.5 tp10 -64.78 -60.71 7.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 64.13 110.864 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.75 164.99 32.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 61.24 112.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.41 -21.01 39.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.68 -0.772 . . . . 51.41 112.41 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.511 ' O ' HD23 ' A' ' 131' ' ' LEU . 64.0 m -83.48 49.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 75.43 110.852 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -21.95 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 70.44 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.17 24.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 62.11 110.819 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.072 HD11 HG23 ' A' ' 136' ' ' THR . 4.2 pp -82.14 163.75 21.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.9 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.483 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -62.62 141.67 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.861 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.715 HD13 ' HB ' ' A' ' 91' ' ' THR . 2.0 tt -59.6 -20.24 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 72.04 111.119 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -65.68 -36.99 85.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 131' ' ' LEU . 29.8 mm-40 -73.94 -43.18 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 63.55 110.935 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.072 HG23 HD11 ' A' ' 131' ' ' LEU . 3.4 p -53.2 -52.12 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 52.25 111.109 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 119' ' ' PHE . 61.0 mt -69.28 -50.01 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.04 110.935 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.65 -51.91 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 71.33 110.99 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.09 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 44.04 111.087 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -54.0 -35.0 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.089 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -71.73 -62.76 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 71.12 110.804 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -53.83 -36.39 62.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 65.25 110.899 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -65.25 -34.09 77.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.754 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.6 tp -64.54 -36.38 84.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 62.04 110.922 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.736 HE21 HD23 ' A' ' 144' ' ' LEU . 9.4 mp0 -102.42 33.29 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 54.3 110.944 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.95 111.56 23.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.074 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.907 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.815 0.34 . . . . 52.22 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.66 154.09 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 50.3 110.871 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.87 160.28 58.55 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.666 0.746 . . . . 74.23 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -45.27 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.633 2.222 . . . . 74.43 112.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.81 178.45 9.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 75.22 110.973 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 1.8 t -121.21 97.05 47.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.522 0.677 . . . . 73.11 111.212 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.8 Cg_endo -69.67 169.02 19.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.642 2.228 . . . . 71.15 112.363 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -161.2 160.5 30.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.895 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -173.91 163.44 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.21 111.059 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.45 179.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.856 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -136.89 -65.22 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 70.03 110.936 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 9.8 t -95.81 33.08 1.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.88 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 6.3 p -73.53 142.08 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 75.24 111.108 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.95 174.05 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 63.14 110.932 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -149.25 144.72 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 72.53 110.853 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.05 135.66 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 70.53 111.122 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . 0.496 ' H ' HD23 ' B' ' 534' ' ' LEU . 1.3 pt? -62.1 -173.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 62.31 110.982 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 115.65 14.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 72.41 110.912 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -133.51 158.34 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 62.32 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 5.6 t -174.68 -178.62 1.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 74.01 110.797 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . -175.53 179.45 46.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 44.23 112.443 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -155.52 166.9 32.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.299 . . . . 63.32 111.098 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -145.97 -174.95 4.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 74.22 110.961 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 5.1 t -179.61 158.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 54.44 110.896 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 106.62 -102.8 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.797 -0.716 . . . . 64.24 112.529 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . 0.696 ' O ' HD23 ' B' ' 546' ' ' LEU . 0.2 OUTLIER -86.8 -14.37 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.378 . . . . 52.52 110.919 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -45.53 -30.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.853 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -48.36 -57.32 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.25 110.956 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.696 HD23 ' O ' ' B' ' 543' ' ' ASP . 1.4 pt? -91.72 -30.09 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.864 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.38 -46.56 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 64.45 110.928 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.687 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.0 ptmt -49.89 -51.26 41.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 74.23 110.875 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.595 ' CH2' HD22 ' A' ' 115' ' ' LEU . 68.9 m95 -59.42 -60.43 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 72.04 110.87 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 77.1 t -51.38 -53.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 70.33 111.14 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -41.77 29.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.53 110.871 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.85 HG12 HD23 ' A' ' 123' ' ' LEU . 87.2 t -70.33 -33.66 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.21 111.122 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.808 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -63.92 -40.76 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 65.22 110.937 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.82 -26.36 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.901 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.8 -34.4 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.9 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . 0.663 ' NH1' HG21 ' A' ' 136' ' ' THR . 0.0 OUTLIER -70.99 -29.01 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.895 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -62.09 -80.08 0.12 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.747 . . . . 73.35 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.66 -76.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 71.33 110.923 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -95.43 -166.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 64.14 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -126.58 163.77 22.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 50.04 111.086 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 17.6 pt -152.55 140.02 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.157 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 7.0 mttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.835 179.86 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.7 ttm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.784 0.326 . . . . 74.2 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.03 162.72 25.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 71.45 110.856 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -162.63 160.83 26.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.84 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.25 -172.59 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 45.25 110.861 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.2 170.69 15.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 73.54 111.082 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -162.44 -179.28 6.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 65.05 110.792 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -175.63 128.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 70.1 110.916 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -178.43 142.86 0.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 52.35 110.845 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.57 113.89 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 34.1 110.887 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -148.33 101.8 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 71.44 111.112 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.82 HG23 ' HB2' ' B' ' 558' ' ' GLN . 4.3 mp -137.18 95.13 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 74.14 111.118 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.8 p -179.28 161.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 61.02 110.914 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.31 118.4 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.501 . . . . 74.11 110.803 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.3 m -161.42 -173.97 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.848 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 mp -50.74 -31.21 9.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.14 111.126 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -50.28 -33.67 20.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 63.45 110.891 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.9 m -54.0 -34.39 59.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 44.32 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.893 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -51.57 -25.81 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 70.52 110.963 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -47.71 -32.54 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 74.1 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -59.59 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 72.22 110.867 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -55.91 -47.67 77.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.881 HG22 HG21 ' A' ' 133' ' ' ILE . 80.8 p -58.28 -54.65 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 53.31 111.155 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.14 63.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.23 110.88 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' HA ' HD21 ' A' ' 96' ' ' LEU . 42.4 tt0 -61.12 -44.9 96.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 74.41 110.884 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.14 -34.78 77.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 52.42 110.817 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.01 -60.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 72.43 111.169 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 97' ' ' THR . 2.8 pp -54.93 -38.37 67.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.913 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 16.9 p -63.31 -47.32 82.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 75.23 111.182 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.78 -26.49 62.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 70.44 110.855 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -79.89 -35.63 37.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 64.11 110.831 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -84.38 -36.5 22.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.35 110.901 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -74.15 -39.86 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -132.08 67.18 78.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.612 0.72 . . . . 73.3 110.874 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.74 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.697 2.265 . . . . 74.22 112.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.1 -28.18 69.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.42 110.94 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -71.28 -28.04 63.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 16.1 mtp -74.1 -23.48 59.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.911 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.36 -35.84 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 71.14 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.7 m -150.13 126.77 10.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.865 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -77.45 -36.96 52.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.875 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.41 -39.61 85.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 73.11 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.574 ' OD2' HD21 ' A' ' 144' ' ' LEU . 4.2 t70 -57.04 -48.78 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.904 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -54.71 -40.8 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 62.45 110.897 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.25 -59.91 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 62.52 110.859 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -52.58 -41.05 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.871 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 72.35 110.914 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -65.07 -58.56 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 75.03 110.911 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.4 t -53.12 -46.51 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 75.24 111.143 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' HG13 ' A' ' 122' ' ' VAL . 10.9 tt0 -67.2 -39.81 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.915 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.599 ' O ' HD22 ' A' ' 123' ' ' LEU . 16.3 t80 -62.71 -28.16 69.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 75.54 110.77 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.436 ' HG3' HG11 ' B' ' 552' ' ' VAL . 26.7 mtpt -83.75 -33.83 24.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 75.1 110.914 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.95 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 118' ' ' GLU . 32.6 m -74.17 -14.4 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 71.34 111.128 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.823 HD23 HG12 ' B' ' 552' ' ' VAL . 0.3 OUTLIER -84.42 -37.46 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.942 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.37 -29.28 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.959 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 4.2 tp10 -47.29 -59.93 4.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 64.13 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.1 Cg_endo -69.73 156.38 63.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 61.24 112.385 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.36 -20.15 42.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 51.41 112.475 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.462 ' O ' HD23 ' A' ' 131' ' ' LEU . 65.4 m -85.51 47.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 75.43 110.82 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -15.37 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 70.44 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -73.62 -3.86 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.841 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.006 HD11 HG23 ' A' ' 136' ' ' THR . 3.7 pp -64.17 159.44 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.926 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.64 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -59.47 168.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.914 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.881 HG21 HG22 ' A' ' 91' ' ' THR . 7.4 tt -79.18 -20.07 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 72.04 111.126 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -66.95 -38.88 86.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.457 ' HB2' HD13 ' A' ' 131' ' ' LEU . 2.6 mt-30 -71.13 -39.47 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 63.55 110.881 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.006 HG23 HD11 ' A' ' 131' ' ' LEU . 1.2 p -59.94 -58.36 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 52.25 111.145 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -61.77 -44.66 96.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.945 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 138' ' ' LEU . 8.2 tt -58.42 -51.78 68.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.947 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.27 -53.43 57.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 44.04 111.04 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -51.93 -52.13 52.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.104 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -53.22 -59.32 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 71.12 110.87 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -55.62 -36.52 67.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 65.25 110.869 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -66.77 -33.46 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 72.21 110.825 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.723 HD23 HE21 ' A' ' 145' ' ' GLN . 13.1 tp -64.8 -36.33 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 62.04 110.949 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.723 HE21 HD23 ' A' ' 144' ' ' LEU . 9.3 mp0 -104.59 34.75 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 54.3 110.965 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -92.86 -38.53 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 73.03 111.082 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 75.04 110.896 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 10.4 m170 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.811 0.338 . . . . 52.22 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.9 156.16 49.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 50.3 110.869 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.23 157.5 22.9 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 74.23 110.87 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -47.88 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 74.43 112.359 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . 0.416 HD12 ' N ' ' B' ' 523' ' ' THR . 3.3 pp -171.94 -179.35 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.907 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.416 ' N ' HD12 ' B' ' 522' ' ' LEU . 1.8 t -111.19 97.22 34.26 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 73.11 111.12 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -172.82 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 71.15 112.316 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.78 115.32 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.828 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -158.2 103.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.21 111.127 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 2.8 p 46.35 83.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 74.31 110.844 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -96.05 -73.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 70.03 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 1.2 t -98.94 36.33 1.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.907 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 95.9 t -115.66 143.91 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.24 111.082 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -79.89 140.38 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 63.14 110.897 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -142.0 165.08 28.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.88 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.97 -176.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 70.53 111.132 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . 0.657 ' C ' HD22 ' B' ' 534' ' ' LEU . 0.0 OUTLIER -51.21 169.29 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 62.31 110.867 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.541 ' N ' HD22 ' B' ' 534' ' ' LEU . 11.7 mtpp -142.88 158.53 43.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.983 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -151.62 -179.48 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 62.32 110.873 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 39.1 t -174.68 170.01 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.878 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 128.56 119.2 2.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 44.23 112.515 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -164.75 162.76 21.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 63.32 111.1 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 4.2 m0 -121.97 130.35 53.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.943 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.36 164.02 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 54.44 110.891 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -167.49 -48.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 64.24 112.482 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.83 -31.53 17.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 52.52 110.811 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -48.98 -32.05 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.889 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -49.58 -52.63 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 96' ' ' LEU . 4.2 pp -91.07 -29.09 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 71.42 110.948 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -47.5 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.973 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.718 ' O ' HG23 ' B' ' 552' ' ' VAL . 12.4 ptmt -49.25 -52.0 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.86 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.557 ' CH2' HD22 ' A' ' 115' ' ' LEU . 71.9 m95 -59.28 -61.43 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.04 110.93 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.555 HG12 HD23 ' B' ' 554' ' ' LEU . 59.0 t -51.56 -56.45 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 70.33 111.164 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -44.97 -43.49 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.823 HG12 HD23 ' A' ' 123' ' ' LEU . 94.4 t -67.38 -40.26 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 73.21 111.169 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.805 ' CG ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 65.22 110.912 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.555 HD23 HG12 ' B' ' 550' ' ' VAL . 1.1 pp -78.78 -27.82 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.861 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.06 -33.34 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.895 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -31.02 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.908 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -68.43 -37.03 85.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 73.35 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.82 ' HB2' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -162.03 -75.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 71.33 110.823 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . 0.453 ' CD ' HG22 ' A' ' 79' ' ' ILE . 7.3 pt-20 -160.1 -174.28 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.81 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -70.54 154.15 42.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 50.04 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . 0.427 HG12 HD13 ' B' ' 554' ' ' LEU . 14.8 pt -152.6 131.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.112 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 26.2 mttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 74.43 110.85 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.6 mtm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.821 0.343 . . . . 74.2 110.917 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -61.82 160.85 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.896 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -127.98 50.6 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.851 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 p -119.5 94.69 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 45.25 110.828 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.5 118.34 9.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 73.54 111.091 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.5 p -117.7 123.93 47.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 65.05 110.817 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 164.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 70.1 110.909 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -138.56 158.99 43.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.422 . . . . 52.35 110.919 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -160.54 170.93 19.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 34.1 110.854 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.02 35.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 71.44 111.069 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -112.85 -28.95 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.127 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.5 t -164.72 141.26 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 61.02 110.809 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -93.24 173.19 7.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.88 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.2 68.5 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.789 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.22 -34.82 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.14 111.094 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -51.43 -44.12 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 63.45 110.866 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 p -74.9 -34.47 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 44.32 110.884 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.12 -28.62 18.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -27.24 7.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 70.52 110.903 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -48.75 -31.51 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.986 0.422 . . . . 74.1 110.92 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -67.87 -58.57 4.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.886 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.918 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.901 HG22 HG21 ' A' ' 133' ' ' ILE . 71.9 p -58.14 -53.58 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 53.31 111.086 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.466 ' HE2' HG21 ' B' ' 550' ' ' VAL . 0.9 OUTLIER -51.35 -49.39 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 75.23 110.901 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -58.21 -48.3 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.884 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.02 -35.42 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 52.42 110.923 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.83 -60.66 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.096 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 97' ' ' THR . 2.7 pp -56.1 -37.34 69.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.9 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.607 ' N ' HD12 ' A' ' 96' ' ' LEU . 20.2 p -63.53 -48.15 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.114 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -27.38 62.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 70.44 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -78.25 -36.28 47.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 64.11 110.897 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -83.46 -40.26 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 64.35 110.885 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -71.42 -37.72 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.807 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -134.29 71.0 72.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.56 0.695 . . . . 73.3 110.879 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 83.79 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 74.22 112.367 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -38.48 83.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.96 -32.47 70.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.937 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.8 mtt -74.71 -23.51 58.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 62.3 110.881 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -88.42 -45.62 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.09 117.44 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.869 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -51.75 -35.68 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.9 -41.56 78.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.11 110.864 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -52.69 -59.02 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 75.41 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.88 -48.9 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 62.45 110.937 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.96 -59.72 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 62.52 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -51.78 -42.12 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.783 ' HG ' HD22 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -63.58 -39.41 94.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.974 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.2 ttt -64.04 -60.73 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 118' ' ' GLU . 3.2 t -50.77 -46.93 59.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 75.24 111.138 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.695 ' O ' HG13 ' A' ' 122' ' ' VAL . 4.2 tp10 -67.05 -39.37 86.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.848 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.609 ' O ' HD13 ' A' ' 123' ' ' LEU . 9.7 t80 -62.06 -28.31 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.864 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -84.05 -34.32 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 75.1 110.927 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -76.72 -32.87 58.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 75.21 110.905 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 118' ' ' GLU . 29.7 m -74.78 -14.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 71.34 111.122 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.783 HD23 HG12 ' B' ' 552' ' ' VAL . 0.5 OUTLIER -84.52 -37.64 21.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 74.02 110.909 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 53.7 mt -92.21 -29.6 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.933 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 126' ' ' PRO . 5.3 tp10 -47.23 -60.3 4.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 64.13 110.879 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 125' ' ' GLU . 54.0 Cg_endo -69.75 158.31 57.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 61.24 112.379 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.54 -21.7 36.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 51.41 112.428 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -86.27 48.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 75.43 110.904 -179.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -57.83 -16.38 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 70.44 110.857 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -74.26 -1.23 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.923 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 136' ' ' THR . 3.8 pp -63.77 163.82 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 65.34 110.952 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.511 ' O ' HD12 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -67.69 152.36 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.869 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.901 HG21 HG22 ' A' ' 91' ' ' THR . 3.1 tt -64.79 -20.11 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 72.04 111.107 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.932 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.563 ' HB2' HD13 ' A' ' 131' ' ' LEU . 2.1 mt-30 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 63.55 110.924 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.718 ' HB ' HD11 ' A' ' 123' ' ' LEU . 28.2 p -51.0 -52.46 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 52.25 111.116 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -38.53 63.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.04 111.006 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 138' ' ' LEU . 0.3 OUTLIER -56.77 -46.7 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 71.33 110.903 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.82 -48.48 37.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 44.04 111.04 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 122' ' ' VAL . . . -56.19 -38.07 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 73.32 111.078 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -72.82 -57.27 4.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.841 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HG3' HD12 ' A' ' 138' ' ' LEU . 14.8 mm-40 -56.0 -34.45 65.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 65.25 110.906 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -69.98 -32.7 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.21 110.888 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.783 HD22 ' HG ' ' A' ' 115' ' ' LEU . 12.0 tp -63.21 -34.75 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 62.04 110.924 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.677 HE21 HD23 ' A' ' 144' ' ' LEU . 9.3 mp0 -104.52 33.5 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 54.3 110.911 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.23 -179.62 3.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.103 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.95 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 518' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 52.22 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 519' ' ' MET . . . . . . . . . . . . . 21.1 mtp -117.03 164.5 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 50.3 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.14 160.13 83.55 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.537 0.684 . . . . 74.23 110.899 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.67 -47.68 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.738 2.292 . . . . 74.43 112.373 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 522' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.42 176.2 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 75.22 110.894 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 523' ' ' THR . . . . . 0.402 ' HA ' ' HD2' ' B' ' 524' ' ' PRO . 0.9 OUTLIER -123.2 97.2 43.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 73.11 111.093 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 523' ' ' THR . 53.3 Cg_endo -69.79 161.15 47.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.597 2.198 . . . . 71.15 112.357 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 525' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -77.43 156.09 31.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.895 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 526' ' ' ALA . . . . . . . . . . . . . . . -124.65 41.68 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.21 111.094 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 527' ' ' SER . . . . . . . . . . . . . 86.3 p -164.44 134.16 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.844 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 528' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -131.67 -74.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.914 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 4.9 t -103.05 33.82 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.882 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 530' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.23 144.72 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 75.24 111.049 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 531' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -153.19 -179.89 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 63.14 110.884 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 532' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -163.55 150.54 12.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 533' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.4 124.4 72.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 70.53 111.185 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 534' ' ' LEU . . . . . . . . . . . . . 3.1 pp -59.59 129.67 43.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 62.31 110.903 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -100.03 87.11 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.875 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -122.17 108.04 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.32 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 4.8 p -165.0 150.29 9.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.01 110.858 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 538' ' ' GLY . . . . . . . . . . . . . . . 111.28 33.86 2.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 44.23 112.513 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -157.19 168.32 27.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 63.32 111.112 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 540' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -145.62 155.45 43.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.913 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 541' ' ' SER . . . . . . . . . . . . . 24.7 t -176.7 160.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 54.44 110.916 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 97.52 -77.3 0.64 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 64.24 112.507 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 543' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.02 -34.41 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 52.52 110.854 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.81 -31.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 73.54 110.864 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 545' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -47.61 -57.47 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.857 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 547' ' ' GLN . 4.6 pp -92.0 -32.58 15.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 71.42 110.948 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 547' ' ' GLN . . . . . 0.56 ' N ' HD12 ' B' ' 546' ' ' LEU . 1.0 OUTLIER -49.0 -46.16 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.928 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 548' ' ' LYS . . . . . 0.658 ' O ' HG23 ' B' ' 552' ' ' VAL . 13.8 ptmt -50.68 -49.89 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 74.23 110.904 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 549' ' ' TRP . . . . . 0.453 ' CH2' HD22 ' A' ' 115' ' ' LEU . 67.2 m95 -59.27 -59.56 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 72.04 110.943 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.466 HG21 ' HE2' ' A' ' 92' ' ' LYS . 43.3 t -53.45 -55.23 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 70.33 111.1 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -46.27 -42.28 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.839 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 552' ' ' VAL . . . . . 0.783 HG12 HD23 ' A' ' 123' ' ' LEU . 97.6 t -71.17 -36.85 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.155 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 553' ' ' TYR . . . . . 0.776 ' CE2' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -59.22 -45.06 92.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 65.22 110.979 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 560' ' ' ALA . 0.6 OUTLIER -81.58 -28.4 33.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.968 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 555' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.61 -32.81 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.918 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.894 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 557' ' ' GLY . . . . . . . . . . . . . . . -55.76 -74.45 0.32 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.749 . . . . 73.35 112.472 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -136.74 -48.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.731 0.3 . . . . 71.33 110.91 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 559' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -174.71 176.83 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 64.14 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' B' ' 554' ' ' LEU . . . -66.2 160.33 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 50.04 111.095 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 561' ' ' ILE . . . . . . . . . . . . . 11.9 pt -153.01 131.22 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.03 111.135 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 562' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.97 179.775 . . . . . . . . 1 1 . 1 stop_ save_